|
PM7 Butylmethyldiazine H=18.9 HR=NIST C 0.00000000 0 0.0000000 0 0.0000000 0 0 0 0 C 1.52848542 1 0.0000000 0 0.0000000 0 1 0 0 C 1.53218224 1 110.6413144 1 0.0000000 0 2 1 0 C 1.53758164 1 110.3019663 1 179.9516293 1 3 2 1 N 1.47462336 1 106.9389386 1 -179.9762202 1 4 3 2 N 1.24451146 1 115.5804843 1 -179.9585011 1 5 4 3 C 1.46794573 1 115.4573717 1 179.9913504 1 6 5 4 H 1.09614277 1 111.4658269 1 -59.8542083 1 1 2 3 H 1.09607590 1 111.4697949 1 120.0600240 1 1 2 8 H 1.09561422 1 111.2687966 1 119.9790020 1 1 2 9 H 1.10654680 1 109.9010577 1 -121.8888622 1 2 1 3 H 1.10669217 1 109.8778079 1 -116.2393748 1 2 1 11 H 1.10655914 1 110.6528917 1 121.9409048 1 3 2 4 H 1.10694942 1 110.5941706 1 116.1968927 1 3 2 13 H 1.11208993 1 110.7410309 1 121.2750299 1 4 3 5 H 1.11222033 1 110.7481224 1 117.4514273 1 4 3 15 H 1.10308885 1 112.6905150 1 -59.9312583 1 7 6 5 H 1.10285703 1 112.6351756 1 121.5953119 1 7 6 17 H 1.10476964 1 106.8616039 1 119.2521013 1 7 6 18