SUMMARY OF  PM7 CALCULATION, Site No: 23746

                                                       MOPAC2016 (Version: 20.044M)
                                                       Thu Feb 20 21:46:44 2020
                                                       No. of days remaining = 358

           Empirical Formula: C16 H128 N96  =   240 atoms

 MERS=(2,1,2) PL GNORM=4  GNORM=40 PDBOUT PL
 1,2,3-Triaminoguanidine (FASGUB)



     HERBERTS TEST WAS SATISFIED IN BFGS
     SCF FIELD WAS ACHIEVED

          HEAT OF FORMATION       =       -264.49627 KCAL/MOL =   -1106.65238 KJ/MOL
          H.o.F. per unit cell    =        -16.53102 KCAL, for  16 unit cells
          TOTAL ENERGY            =     -21540.22021 EV
          ELECTRONIC ENERGY       =  -85970266.78083 EV
          CORE-CORE REPULSION     =   85948726.56062 EV

          VOLUME OF UNIT CELL     =        434.094 CUBIC ANGSTROMS

          DENSITY                 =          1.593 GRAMS/CC
                              A   =          6.233 ANGSTROMS
                              B   =         10.181 ANGSTROMS
                              C   =          7.367 ANGSTROMS
                            ALPHA =         89.697 DEGREES
                            BETA  =        111.779 DEGREES
                            GAMMA =         89.923 DEGREES


          VOLUME OF CLUSTER       =       1736.37760 ANGSTROMS**3 = 1045.670 CM**3/MOLE

          GRADIENT NORM           =         47.46774 = 3.06403 PER ATOM
          NO. OF FILLED LEVELS    =        336
          IONIZATION POTENTIAL    =          9.643494 EV
          HOMO LUMO ENERGIES (EV) =         -9.643 -0.609
          MOLECULAR WEIGHT        =       1665.8304
           Pressure required to constrain translation vectors
           Tv( 241)  Pressure:  -0.21 GPa
           Tv( 242)  Pressure:  -0.75 GPa
           Tv( 243)  Pressure:   0.13 GPa
          SCF CALCULATIONS        =         34
          WALL-CLOCK TIME         = 33 MINUTES AND 23.617 SECONDS
          COMPUTATION TIME        = 39 MINUTES AND 42.072 SECONDS


          FINAL GEOMETRY OBTAINED
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    1
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    2
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    3
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    4
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    5
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    6
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    7
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    8
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:    9
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:   10
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:   11
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:   12
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:   13
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:   14
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:   15
*REMARK   3 HET = Not identified; C H 8 N 6          =    15 atoms  res:   16
 MERS=(2,1,2) PL GNORM=4  GNORM=40 PDBOUT PL
 1,2,3-Triaminoguanidine (FASGUB)

  C(HETATM    1  C   HET A   1)  -0.11226284 +1   0.01106482 +1   0.01655852 +1
  N(HETATM    2  N1  HET A   1)   1.19983589 +1   0.03604907 +1  -0.03989719 +1
  N(HETATM    3  N2  HET A   1)   1.86749506 +1   1.27286766 +1  -0.03305847 +1
  N(HETATM    4  N3  HET A   1)  -0.89048305 +1   1.18168973 +1   0.20506748 +1
  N(HETATM    5  N4  HET A   1)  -2.26444987 +1   0.97272540 +1  -0.10611589 +1
  N(HETATM    6  N5  HET A   1)  -0.74924919 +1  -1.25200544 +1  -0.06982364 +1
  N(HETATM    7  N6  HET A   1)  -0.04230611 +1  -2.36159923 +1   0.48180779 +1
  H(HETATM    8 1H2  HET A   1)   2.86824015 +1   1.05303515 +1  -0.07641169 +1
  H(HETATM    9 2H2  HET A   1)   1.71919041 +1   1.72662813 +1   0.87083804 +1
  H(HETATM   10  H3  HET A   1)  -0.49390702 +1   2.01700933 +1  -0.26195459 +1
  H(HETATM   11 1H4  HET A   1)  -2.79325769 +1   1.58741146 +1   0.51009959 +1
  H(HETATM   12 2H4  HET A   1)  -2.45284878 +1   1.25848541 +1  -1.06290456 +1
  H(HETATM   13  H5  HET A   1)  -1.71355174 +1  -1.27709466 +1   0.31571224 +1
  H(HETATM   14 1H6  HET A   1)   0.44945258 +1  -2.83697507 +1  -0.26982488 +1
  H(HETATM   15 2H6  HET A   1)   0.65127171 +1  -2.08835596 +1   1.18419150 +1
  C(HETATM   16  C   HET B   2)  -4.80180641 +1  -0.59346332 +1   4.22048687 +1
  N(HETATM   17  N1  HET B   2)  -4.57407188 +1  -1.56918330 +1   3.36642588 +1
  N(HETATM   18  N2  HET B   2)  -5.35262118 +1  -2.73225128 +1   3.42490998 +1
  N(HETATM   19  N3  HET B   2)  -5.88407713 +1  -0.58451848 +1   5.13522397 +1
  N(HETATM   20  N4  HET B   2)  -5.76769105 +1   0.45269508 +1   6.11178955 +1
  N(HETATM   21  N5  HET B   2)  -3.93646103 +1   0.52698802 +1   4.15640570 +1
  N(HETATM   22  N6  HET B   2)  -3.34373192 +1   0.81168891 +1   2.88691072 +1
  H(HETATM   23 1H2  HET B   2)  -4.96638969 +1  -3.36682626 +1   2.72306470 +1
  H(HETATM   24 2H2  HET B   2)  -6.30819815 +1  -2.54442066 +1   3.11828394 +1
  H(HETATM   25  H3  HET B   2)  -6.06674489 +1  -1.51402675 +1   5.56889220 +1
  H(HETATM   26 1H4  HET B   2)  -6.71488030 +1   0.80234749 +1   6.27805847 +1
  H(HETATM   27 2H4  HET B   2)  -5.42232407 +1   0.05902062 +1   6.98572926 +1
  H(HETATM   28  H5  HET B   2)  -4.36315986 +1   1.40832989 +1   4.51086289 +1
  H(HETATM   29 1H6  HET B   2)  -2.39821122 +1   0.44362697 +1   2.90339858 +1
  H(HETATM   30 2H6  HET B   2)  -3.82942603 +1   0.33790395 +1   2.12019068 +1
  C(HETATM   31  C   HET C   3)   0.65630554 +1  -0.56776174 +1   3.31808155 +1
  N(HETATM   32  N1  HET C   3)  -0.65829754 +1  -0.58469144 +1   3.33358588 +1
  N(HETATM   33  N2  HET C   3)  -1.33808850 +1  -1.80835595 +1   3.38974607 +1
  N(HETATM   34  N3  HET C   3)   1.45900677 +1  -1.72710173 +1   3.17707880 +1
  N(HETATM   35  N4  HET C   3)   2.82630970 +1  -1.49521081 +1   3.51775445 +1
  N(HETATM   36  N5  HET C   3)   1.28028201 +1   0.69993390 +1   3.41004033 +1
  N(HETATM   37  N6  HET C   3)   0.54802690 +1   1.80722935 +1   2.88246548 +1
  H(HETATM   38 1H2  HET C   3)  -2.33729712 +1  -1.56209667 +1   3.35643961 +1
  H(HETATM   39 2H2  HET C   3)  -1.18010171 +1  -2.35559431 +1   2.54588294 +1
  H(HETATM   40  H3  HET C   3)   1.06184066 +1  -2.54980584 +1   3.67376627 +1
  H(HETATM   41 1H4  HET C   3)   3.37167683 +1  -2.16462271 +1   2.96876457 +1
  H(HETATM   42 2H4  HET C   3)   2.98044982 +1  -1.73318012 +1   4.49843435 +1
  H(HETATM   43  H5  HET C   3)   2.24134953 +1   0.73160479 +1   3.00849648 +1
  H(HETATM   44 1H6  HET C   3)   0.09389407 +1   2.27376657 +1   3.66190534 +1
  H(HETATM   45 2H6  HET C   3)  -0.18489728 +1   1.50691876 +1   2.23791800 +1
  C(HETATM   46  C   HET D   4)  -2.47882306 +1   4.97660678 +1   3.54588843 +1
  N(HETATM   47  N1  HET D   4)  -2.67781800 +1   5.96295306 +1   4.39356153 +1
  N(HETATM   48  N2  HET D   4)  -1.87937728 +1   7.11576506 +1   4.28070718 +1
  N(HETATM   49  N3  HET D   4)  -1.41046977 +1   4.99190679 +1   2.61722385 +1
  N(HETATM   50  N4  HET D   4)  -1.50713254 +1   3.97939414 +1   1.62246855 +1
  N(HETATM   51  N5  HET D   4)  -3.34888925 +1   3.86377562 +1   3.59229733 +1
  N(HETATM   52  N6  HET D   4)  -3.95468002 +1   3.53240229 +1   4.83717843 +1
  H(HETATM   53 1H2  HET D   4)  -2.23435860 +1   7.77867695 +1   4.98026078 +1
  H(HETATM   54 2H2  HET D   4)  -0.92297992 +1   6.89259824 +1   4.56659039 +1
  H(HETATM   55  H3  HET D   4)  -1.22428192 +1   5.93264606 +1   2.22193479 +1
  H(HETATM   56 1H4  HET D   4)  -0.55060850 +1   3.66517273 +1   1.44779426 +1
  H(HETATM   57 2H4  HET D   4)  -1.87108001 +1   4.37684869 +1   0.75963534 +1
  H(HETATM   58  H5  HET D   4)  -2.94432959 +1   2.98437526 +1   3.21901110 +1
  H(HETATM   59 1H6  HET D   4)  -4.86657171 +1   3.96850942 +1   4.88797275 +1
  H(HETATM   60 2H6  HET D   4)  -3.42159904 +1   3.85769782 +1   5.64133446 +1
  C(HETATM   61  C   HET E   5)  -4.05170205 +1  -4.38188965 +1  -2.07672811 +1
  N(HETATM   62  N1  HET E   5)  -2.73512868 +1  -4.35834204 +1  -2.11666684 +1
  N(HETATM   63  N2  HET E   5)  -2.07600055 +1  -3.11716872 +1  -2.14232330 +1
  N(HETATM   64  N3  HET E   5)  -4.84394486 +1  -3.21387389 +1  -1.92603794 +1
  N(HETATM   65  N4  HET E   5)  -6.21445877 +1  -3.45178362 +1  -2.23643996 +1
  N(HETATM   66  N5  HET E   5)  -4.67974126 +1  -5.64884901 +1  -2.14851887 +1
  N(HETATM   67  N6  HET E   5)  -3.96693663 +1  -6.75697701 +1  -1.60759939 +1
  H(HETATM   68 1H2  HET E   5)  -1.07462356 +1  -3.33299693 +1  -2.23802592 +1
  H(HETATM   69 2H2  HET E   5)  -2.18039371 +1  -2.67178618 +1  -1.23064719 +1
  H(HETATM   70  H3  HET E   5)  -4.45860114 +1  -2.39416539 +1  -2.42765358 +1
  H(HETATM   71 1H4  HET E   5)  -6.75578928 +1  -2.83265514 +1  -1.63048951 +1
  H(HETATM   72 2H4  HET E   5)  -6.40480710 +1  -3.18105065 +1  -3.19561450 +1
  H(HETATM   73  H5  HET E   5)  -5.64217583 +1  -5.67223428 +1  -1.75910781 +1
  H(HETATM   74 1H6  HET E   5)  -3.49750506 +1  -7.24230982 +1  -2.36693354 +1
  H(HETATM   75 2H6  HET E   5)  -3.26621620 +1  -6.48435396 +1  -0.91764504 +1
  C(HETATM   76  C   HET F   6)  -8.72070830 +1  -4.99874349 +1   2.11440184 +1
  N(HETATM   77  N1  HET F   6)  -8.50790699 +1  -5.98683776 +1   1.26853917 +1
  N(HETATM   78  N2  HET F   6)  -9.30678108 +1  -7.13634004 +1   1.34734382 +1
  N(HETATM   79  N3  HET F   6)  -9.80434755 +1  -4.98965445 +1   3.02333208 +1
  N(HETATM   80  N4  HET F   6)  -9.72053266 +1  -3.95135432 +1   3.99460720 +1
  N(HETATM   81  N5  HET F   6)  -7.85642311 +1  -3.87784368 +1   2.05410205 +1
  N(HETATM   82  N6  HET F   6)  -7.26587242 +1  -3.59385821 +1   0.78791851 +1
  H(HETATM   83 1H2  HET F   6)  -8.95132884 +1  -7.78266856 +1   0.63124469 +1
  H(HETATM   84 2H2  HET F   6) -10.26522004 +1  -6.92810996 +1   1.07890333 +1
  H(HETATM   85  H3  HET F   6)  -9.99553470 +1  -5.91894080 +1   3.45381075 +1
  H(HETATM   86 1H4  HET F   6) -10.67562566 +1  -3.61568299 +1   4.13778234 +1
  H(HETATM   87 2H4  HET F   6)  -9.39004280 +1  -4.34602935 +1   4.87684617 +1
  H(HETATM   88  H5  HET F   6)  -8.29571338 +1  -2.99935966 +1   2.40009062 +1
  H(HETATM   89 1H6  HET F   6)  -6.32304568 +1  -3.97754779 +1   0.80249842 +1
  H(HETATM   90 2H6  HET F   6)  -7.75135155 +1  -4.06503395 +1   0.02166111 +1
  C(HETATM   91  C   HET G   7)  -3.28000203 +1  -4.95025177 +1   1.21319771 +1
  N(HETATM   92  N1  HET G   7)  -4.59396721 +1  -4.96870707 +1   1.23686535 +1
  N(HETATM   93  N2  HET G   7)  -5.28348439 +1  -6.18662029 +1   1.27487639 +1
  N(HETATM   94  N3  HET G   7)  -2.48558029 +1  -6.11067260 +1   1.04554870 +1
  N(HETATM   95  N4  HET G   7)  -1.11914889 +1  -5.89823328 +1   1.38924299 +1
  N(HETATM   96  N5  HET G   7)  -2.64595605 +1  -3.68571068 +1   1.31502579 +1
  N(HETATM   97  N6  HET G   7)  -3.37556963 +1  -2.58201502 +1   0.77190581 +1
  H(HETATM   98 1H2  HET G   7)  -6.27671970 +1  -5.93970225 +1   1.20937905 +1
  H(HETATM   99 2H2  HET G   7)  -5.09870684 +1  -6.74499952 +1   0.44320598 +1
  H(HETATM  100  H3  HET G   7)  -2.88997626 +1  -6.95098352 +1   1.50469862 +1
  H(HETATM  101 1H4  HET G   7)  -0.57318204 +1  -6.54588855 +1   0.81588069 +1
  H(HETATM  102 2H4  HET G   7)  -0.96032635 +1  -6.16192644 +1   2.36284065 +1
  H(HETATM  103  H5  HET G   7)  -1.68580589 +1  -3.66320135 +1   0.90938284 +1
  H(HETATM  104 1H6  HET G   7)  -3.84472254 +1  -2.12342467 +1   1.53749672 +1
  H(HETATM  105 2H6  HET G   7)  -4.09754988 +1  -2.89270787 +1   0.11604898 +1
  C(HETATM  106  C   HET H   8)  -6.39790117 +1   0.57770579 +1   1.44197351 +1
  N(HETATM  107  N1  HET H   8)  -6.60285432 +1   1.55383886 +1   2.29703310 +1
  N(HETATM  108  N2  HET H   8)  -5.80855280 +1   2.71004869 +1   2.21115363 +1
  N(HETATM  109  N3  HET H   8)  -5.32299228 +1   0.57882569 +1   0.51678861 +1
  N(HETATM  110  N4  HET H   8)  -5.45786227 +1  -0.43348745 +1  -0.47882115 +1
  N(HETATM  111  N5  HET H   8)  -7.27708292 +1  -0.53230948 +1   1.47995664 +1
  N(HETATM  112  N6  HET H   8)  -7.86927322 +1  -0.88185467 +1   2.72562090 +1
  H(HETATM  113 1H2  HET H   8)  -6.18962453 +1   3.35851197 +1   2.90856532 +1
  H(HETATM  114 2H2  HET H   8)  -4.85732050 +1   2.50180763 +1   2.52574776 +1
  H(HETATM  115  H3  HET H   8)  -5.13088682 +1   1.51473633 +1   0.11562637 +1
  H(HETATM  116 1H4  HET H   8)  -4.51258063 +1  -0.76742338 +1  -0.67814786 +1
  H(HETATM  117 2H4  HET H   8)  -5.83572261 +1  -0.03176203 +1  -1.33463268 +1
  H(HETATM  118  H5  HET H   8)  -6.88090977 +1  -1.40860425 +1   1.08383696 +1
  H(HETATM  119 1H6  HET H   8)  -8.77545526 +1  -0.42997421 +1   2.80684586 +1
  H(HETATM  120 2H6  HET H   8)  -7.31594376 +1  -0.58678935 +1   3.52799491 +1
  C(HETATM  121  C   HET I   9)   0.62690133 +1   5.54777914 +1  -4.92884720 +1
  N(HETATM  122  N1  HET I   9)   1.93876282 +1   5.56724034 +1  -4.98623937 +1
  N(HETATM  123  N2  HET I   9)   2.61236173 +1   6.79821582 +1  -4.94779841 +1
  N(HETATM  124  N3  HET I   9)  -0.14993178 +1   6.71119333 +1  -4.72154809 +1
  N(HETATM  125  N4  HET I   9)  -1.52175036 +1   6.50951514 +1  -5.03656911 +1
  N(HETATM  126  N5  HET I   9)  -0.00805034 +1   4.28301738 +1  -5.02164715 +1
  N(HETATM  127  N6  HET I   9)   0.70689171 +1   3.18248057 +1  -4.46264275 +1
  H(HETATM  128 1H2  HET I   9)   3.61459956 +1   6.58346705 +1  -5.00119156 +1
  H(HETATM  129 2H2  HET I   9)   2.46562538 +1   7.23018092 +1  -4.03668551 +1
  H(HETATM  130  H3  HET I   9)   0.25143129 +1   7.55906716 +1  -5.16699038 +1
  H(HETATM  131 1H4  HET I   9)  -2.05013330 +1   7.13661232 +1  -4.43368556 +1
  H(HETATM  132 2H4  HET I   9)  -1.70426322 +1   6.78983254 +1  -5.99729988 +1
  H(HETATM  133  H5  HET I   9)  -0.97369069 +1   4.26052344 +1  -4.63691291 +1
  H(HETATM  134 1H6  HET I   9)   1.20062414 +1   2.71081315 +1  -5.21422684 +1
  H(HETATM  135 2H6  HET I   9)   1.40017543 +1   3.46322962 +1  -3.76269735 +1
  C(HETATM  136  C   HET J  10)  -4.05533304 +1   4.93529306 +1  -0.70199179 +1
  N(HETATM  137  N1  HET J  10)  -3.82976379 +1   3.95353139 +1  -1.54805366 +1
  N(HETATM  138  N2  HET J  10)  -4.60267624 +1   2.78725809 +1  -1.47406904 +1
  N(HETATM  139  N3  HET J  10)  -5.13092480 +1   4.93555222 +1   0.23346919 +1
  N(HETATM  140  N4  HET J  10)  -5.01195760 +1   5.98440649 +1   1.19855246 +1
  N(HETATM  141  N5  HET J  10)  -3.19659361 +1   6.05910109 +1  -0.77895726 +1
  N(HETATM  142  N6  HET J  10)  -2.60339206 +1   6.35190770 +1  -2.04717789 +1
  H(HETATM  143 1H2  HET J  10)  -4.22560320 +1   2.16079616 +1  -2.19453623 +1
  H(HETATM  144 2H2  HET J  10)  -5.56472450 +1   2.97198379 +1  -1.75994404 +1
  H(HETATM  145  H3  HET J  10)  -5.27603986 +1   4.01180722 +1   0.68811410 +1
  H(HETATM  146 1H4  HET J  10)  -5.95863829 +1   6.34289705 +1   1.34741314 +1
  H(HETATM  147 2H4  HET J  10)  -4.68059229 +1   5.60335990 +1   2.08124777 +1
  H(HETATM  148  H5  HET J  10)  -3.61844387 +1   6.94358477 +1  -0.42814779 +1
  H(HETATM  149 1H6  HET J  10)  -1.65377973 +1   5.99181114 +1  -2.03272990 +1
  H(HETATM  150 2H6  HET J  10)  -3.08594020 +1   5.88830912 +1  -2.82250813 +1
  C(HETATM  151  C   HET K  11)   1.40126249 +1   4.95781587 +1  -1.59369041 +1
  N(HETATM  152  N1  HET K  11)   0.08770443 +1   4.93758139 +1  -1.58326798 +1
  N(HETATM  153  N2  HET K  11)  -0.59067643 +1   3.71220283 +1  -1.50918364 +1
  N(HETATM  154  N3  HET K  11)   2.20667669 +1   3.79428591 +1  -1.72382442 +1
  N(HETATM  155  N4  HET K  11)   3.57824683 +1   4.03064544 +1  -1.40100582 +1
  N(HETATM  156  N5  HET K  11)   2.02990588 +1   6.22686464 +1  -1.51977053 +1
  N(HETATM  157  N6  HET K  11)   1.30573401 +1   7.33941056 +1  -2.05105496 +1
  H(HETATM  158 1H2  HET K  11)  -1.58867234 +1   3.95934543 +1  -1.56157553 +1
  H(HETATM  159 2H2  HET K  11)  -0.42266753 +1   3.14747934 +1  -2.34141394 +1
  H(HETATM  160  H3  HET K  11)   1.81898232 +1   2.97745371 +1  -1.21840479 +1
  H(HETATM  161 1H4  HET K  11)   4.11395730 +1   3.36945042 +1  -1.97027703 +1
  H(HETATM  162 2H4  HET K  11)   3.75271223 +1   3.78882188 +1  -0.42529165 +1
  H(HETATM  163  H5  HET K  11)   2.98616719 +1   6.25578199 +1  -1.93753429 +1
  H(HETATM  164 1H6  HET K  11)   0.84539710 +1   7.81273847 +1  -1.28079981 +1
  H(HETATM  165 2H6  HET K  11)   0.58048577 +1   7.05516875 +1  -2.71761491 +1
  C(HETATM  166  C   HET L  12)  -1.73151499 +1  10.51222052 +1  -1.39441058 +1
  N(HETATM  167  N1  HET L  12)  -1.93784562 +1  11.49856737 +1  -0.54742017 +1
  N(HETATM  168  N2  HET L  12)  -1.12304668 +1  12.63824000 +1  -0.64105552 +1
  N(HETATM  169  N3  HET L  12)  -0.65349483 +1  10.51850725 +1  -2.30623962 +1
  N(HETATM  170  N4  HET L  12)  -0.75765338 +1   9.51236140 +1  -3.30768254 +1
  N(HETATM  171  N5  HET L  12)  -2.60739240 +1   9.40563975 +1  -1.35796485 +1
  N(HETATM  172  N6  HET L  12)  -3.20675421 +1   9.07748740 +1  -0.10976464 +1
  H(HETATM  173 1H2  HET L  12)  -1.48716030 +1  13.30981702 +1   0.05034994 +1
  H(HETATM  174 2H2  HET L  12)  -0.17787695 +1  12.41128689 +1  -0.34018032 +1
  H(HETATM  175  H3  HET L  12)  -0.45966235 +1  11.46110371 +1  -2.70014082 +1
  H(HETATM  176 1H4  HET L  12)   0.19447240 +1   9.19727166 +1  -3.49727139 +1
  H(HETATM  177 2H4  HET L  12)  -1.12958533 +1   9.91928224 +1  -4.16280815 +1
  H(HETATM  178  H5  HET L  12)  -2.20178149 +1   8.52756700 +1  -1.74008181 +1
  H(HETATM  179 1H6  HET L  12)  -4.12103639 +1   9.51345314 +1  -0.05894880 +1
  H(HETATM  180 2H6  HET L  12)  -2.66819939 +1   9.40655256 +1   0.68984517 +1
  C(HETATM  181  C   HET M  13)  -3.31124146 +1   1.15538071 +1  -7.01399404 +1
  N(HETATM  182  N1  HET M  13)  -1.99571622 +1   1.17769157 +1  -7.06555081 +1
  N(HETATM  183  N2  HET M  13)  -1.33653121 +1   2.41781600 +1  -7.05497857 +1
  N(HETATM  184  N3  HET M  13)  -4.10213003 +1   2.31605927 +1  -6.84437549 +1
  N(HETATM  185  N4  HET M  13)  -5.47056009 +1   2.08210246 +1  -7.16656105 +1
  N(HETATM  186  N5  HET M  13)  -3.93634672 +1  -0.11126416 +1  -7.09577922 +1
  N(HETATM  187  N6  HET M  13)  -3.21812313 +1  -1.21605920 +1  -6.55414573 +1
  H(HETATM  188 1H2  HET M  13)  -0.33895454 +1   2.21698437 +1  -7.17798097 +1
  H(HETATM  189 2H2  HET M  13)  -1.41703344 +1   2.81206855 +1  -6.12042211 +1
  H(HETATM  190  H3  HET M  13)  -3.71023155 +1   3.14405907 +1  -7.32968379 +1
  H(HETATM  191 1H4  HET M  13)  -6.01789805 +1   2.70857874 +1  -6.57837891 +1
  H(HETATM  192 2H4  HET M  13)  -5.64633896 +1   2.35014275 +1  -8.13052807 +1
  H(HETATM  193  H5  HET M  13)  -4.90081722 +1  -0.13778725 +1  -6.71394269 +1
  H(HETATM  194 1H6  HET M  13)  -2.74576527 +1  -1.69650200 +1  -7.31569625 +1
  H(HETATM  195 2H6  HET M  13)  -2.51682809 +1  -0.93464779 +1  -5.86859697 +1
  C(HETATM  196  C   HET N  14)  -7.96623808 +1   0.52553730 +1  -2.81019964 +1
  N(HETATM  197  N1  HET N  14)  -7.76021559 +1  -0.46238683 +1  -3.65339413 +1
  N(HETATM  198  N2  HET N  14)  -8.54863165 +1  -1.62174194 +1  -3.55174909 +1
  N(HETATM  199  N3  HET N  14)  -9.04072221 +1   0.52548024 +1  -1.88360491 +1
  N(HETATM  200  N4  HET N  14)  -8.96607254 +1   1.57774295 +1  -0.92504635 +1
  N(HETATM  201  N5  HET N  14)  -7.11265371 +1   1.65606902 +1  -2.88429737 +1
  N(HETATM  202  N6  HET N  14)  -6.51760492 +1   1.94531680 +1  -4.14930382 +1
  H(HETATM  203 1H2  HET N  14)  -8.20460126 +1  -2.26529385 +1  -4.27490819 +1
  H(HETATM  204 2H2  HET N  14)  -9.51493287 +1  -1.41342888 +1  -3.80811546 +1
  H(HETATM  205  H3  HET N  14)  -9.22483748 +1  -0.40043336 +1  -1.44629987 +1
  H(HETATM  206 1H4  HET N  14)  -9.92177798 +1   1.91780018 +1  -0.80481144 +1
  H(HETATM  207 2H4  HET N  14)  -8.65166252 +1   1.20366968 +1  -0.03200350 +1
  H(HETATM  208  H5  HET N  14)  -7.55205498 +1   2.53451840 +1  -2.54205820 +1
  H(HETATM  209 1H6  HET N  14)  -5.57780943 +1   1.56152038 +1  -4.13724739 +1
  H(HETATM  210 2H6  HET N  14)  -7.00497266 +1   1.49144146 +1  -4.92355589 +1
  C(HETATM  211  C   HET O  15)  -2.53307717 +1   0.57661464 +1  -3.70761213 +1
  N(HETATM  212  N1  HET O  15)  -3.84610076 +1   0.55039915 +1  -3.67645679 +1
  N(HETATM  213  N2  HET O  15)  -4.52884277 +1  -0.67351150 +1  -3.62283352 +1
  N(HETATM  214  N3  HET O  15)  -1.73594381 +1  -0.58790407 +1  -3.85792175 +1
  N(HETATM  215  N4  HET O  15)  -0.36882919 +1  -0.36646798 +1  -3.52064183 +1
  N(HETATM  216  N5  HET O  15)  -1.90503921 +1   1.84707427 +1  -3.62628242 +1
  N(HETATM  217  N6  HET O  15)  -2.63576123 +1   2.94683164 +1  -4.17519440 +1
  H(HETATM  218 1H2  HET O  15)  -5.52273043 +1  -0.42238309 +1  -3.69909179 +1
  H(HETATM  219 2H2  HET O  15)  -4.33916905 +1  -1.23945492 +1  -4.45281565 +1
  H(HETATM  220  H3  HET O  15)  -2.13252353 +1  -1.42538388 +1  -3.38711140 +1
  H(HETATM  221 1H4  HET O  15)   0.17630396 +1  -0.99976504 +1  -4.10850899 +1
  H(HETATM  222 2H4  HET O  15)  -0.19851765 +1  -0.63443067 +1  -2.55293827 +1
  H(HETATM  223  H5  HET O  15)  -0.94680113 +1   1.86985706 +1  -4.02820380 +1
  H(HETATM  224 1H6  HET O  15)  -3.10376938 +1   3.40697065 +1  -3.41159673 +1
  H(HETATM  225 2H6  HET O  15)  -3.35345693 +1   2.63987981 +1  -4.82827284 +1
  C(HETATM  226  C   HET P  16)  -5.65394277 +1   6.11159146 +1  -3.49917430 +1
  N(HETATM  227  N1  HET P  16)  -5.86499665 +1   7.08476956 +1  -2.64265219 +1
  N(HETATM  228  N2  HET P  16)  -5.05738342 +1   8.23077027 +1  -2.70511572 +1
  N(HETATM  229  N3  HET P  16)  -4.57070243 +1   6.10795072 +1  -4.40781591 +1
  N(HETATM  230  N4  HET P  16)  -4.70474113 +1   5.10132864 +1  -5.40931219 +1
  N(HETATM  231  N5  HET P  16)  -6.53961983 +1   5.00648672 +1  -3.47054030 +1
  N(HETATM  232  N6  HET P  16)  -7.12355412 +1   4.66001164 +1  -2.21964599 +1
  H(HETATM  233 1H2  HET P  16)  -5.44014865 +1   8.87996042 +1  -2.01434208 +1
  H(HETATM  234 2H2  HET P  16)  -4.11497359 +1   8.01090452 +1  -2.37791116 +1
  H(HETATM  235  H3  HET P  16)  -4.37073059 +1   7.04827375 +1  -4.80304569 +1
  H(HETATM  236 1H4  HET P  16)  -3.76304156 +1   4.77703043 +1  -5.62319462 +1
  H(HETATM  237 2H4  HET P  16)  -5.09278322 +1   5.50811648 +1  -6.25522365 +1
  H(HETATM  238  H5  HET P  16)  -6.13968523 +1   4.13221513 +1  -3.86970920 +1
  H(HETATM  239 1H6  HET P  16)  -8.02981536 +1   5.11432542 +1  -2.13963610 +1
  H(HETATM  240 2H6  HET P  16)  -6.56350500 +1   4.96122121 +1  -1.42308687 +1
 Tv                              -7.81389481 +1  -8.78187230 +1  -4.14924478 +1
 Tv                               7.78542299 +1  -4.87069808 +1  -4.39402024 +1
 Tv                               1.51074558 +1  10.99492582 +1  -9.69148358 +1