13
Molecule001 HEAT OF FORMATION = -23.08612 KCAL = -96.59227 KJ
C                0.1396      0.8661     -0.1662
C                1.4341      1.5244      0.3396
H                1.4264      1.4993      1.4472
H                1.4261      2.5935      0.0502
O                0.1650      0.8517     -1.5770
H               -0.6619      0.4920     -1.8690
C               -0.0143     -0.4885      0.3852
N               -0.1451     -1.5501      0.8291
H               -0.7362      1.4726      0.1811
C                2.6979      0.8661     -0.1662
H                2.7487     -0.1918      0.1237
H                3.5862      1.3625      0.2455
H                2.7764      0.9106     -1.2603
13
Molecule002 HEAT OF FORMATION = -20.44441 KCAL = -85.53935 KJ
C                0.1587      0.8677     -0.1128
C                1.4719      1.3312      0.5559
H                1.5034      0.9445      1.5928
H                1.4604      2.4357      0.6169
O                0.3424      0.7128     -1.5009
H               -0.5093      0.5277     -1.8735
C               -0.3392     -0.3709      0.4999
N               -0.7335     -1.3440      0.9883
H               -0.5759      1.6959      0.0737
C                2.7485      0.8677     -0.1128
H                2.9834     -0.1703      0.1577
H                3.5978      1.4789      0.2239
H                2.7224      0.9365     -1.2072
13
Molecule003 HEAT OF FORMATION = -18.41703 KCAL = -77.05679 KJ
C                0.2081      0.8452     -0.1633
C                1.5277      1.0156      0.6235
H                1.5306      0.3298      1.4949
H                1.5068      2.0297      1.0718
O                0.4499      0.2721     -1.4264
H               -0.3738      0.2760     -1.8956
C               -0.7261      0.0073      0.6104
N               -1.4661     -0.6423      1.2200
H               -0.2999      1.8370     -0.2770
C                2.8118      0.8452     -0.1633
H                3.3994     -0.0003      0.2181
H                3.4478      1.7364     -0.0749
H                2.6599      0.6735     -1.2367
13
Molecule004 HEAT OF FORMATION = -20.39290 KCAL = -85.32385 KJ
C                0.2681      0.8394      0.1049
C                1.5725      0.5247      0.8614
H                1.5471     -0.5299      1.2076
H                1.5513      1.1100      1.8044
O                0.3865      0.4348     -1.2394
H               -0.3940      0.7297     -1.6888
C               -0.8441      0.1229      0.7593
N               -1.7193     -0.4327      1.2756
H               -0.0126      1.9197      0.1826
C                2.8457      0.8394      0.1049
H                3.5785      0.0283      0.2072
H                3.3195      1.7566      0.4788
H                2.6906      0.9810     -0.9730
13
Molecule005 HEAT OF FORMATION = -22.31401 KCAL = -93.36177 KJ
C                0.3167      0.8158     -0.1703
C                1.6058      0.6237      0.6472
H                1.5839     -0.3666      1.1454
H                1.5903      1.3520      1.4840
O                0.3074     -0.1159     -1.2289
H               -0.4418      0.0866     -1.7725
C               -0.8469      0.6102      0.7106
N               -1.7611      0.4537      1.4041
H                0.2291      1.8644     -0.5505
C                2.8648      0.8158     -0.1703
H                3.6692      0.1534      0.1744
H                3.2347      1.8475     -0.1111
H                2.7160      0.5891     -1.2351
13
Molecule006 HEAT OF FORMATION = -23.38640 KCAL = -97.84865 KJ
C                0.3601      0.7920     -0.2115
C                1.6387      0.5224      0.6005
H                1.6304     -0.5188      0.9807
H                1.6330      1.1609      1.5062
O                0.2024     -0.2638     -1.1349
H               -0.5365     -0.0465     -1.6872
C               -0.7975      0.8726      0.6944
N               -1.7068      0.9430      1.4080
H                0.4289      1.7732     -0.7455
C                2.8868      0.7920     -0.2115
H                3.7421      0.2197      0.1702
H                3.1608      1.8546     -0.2013
H                2.7630      0.4978     -1.2630
13
Molecule007 HEAT OF FORMATION = -23.59582 KCAL = -98.72482 KJ
C                0.4020      0.8009     -0.0324
C                1.6789      0.2360      0.6182
H                1.6835     -0.8712      0.5475
H                1.6858      0.4652      1.7017
O                0.0273     -0.0846     -1.0665
H               -0.7105      0.3024     -1.5182
C               -0.6701      0.9251      0.9669
N               -1.5123      1.0292      1.7550
H                0.5855      1.8202     -0.4572
C                2.9225      0.8009     -0.0324
H                3.8125      0.2250      0.2519
H                3.0957      1.8466      0.2528
H                2.8592      0.7663     -1.1286
13
Molecule008 HEAT OF FORMATION = -23.35149 KCAL = -97.70257 KJ
C                0.4484      0.7428     -0.2234
C                1.7287      0.1778      0.4260
H                1.7397     -0.9300      0.3515
H                1.7425      0.3965      1.5119
O               -0.2309     -0.3385     -0.8252
H               -0.9830      0.0148     -1.2812
C               -0.3975      1.4006      0.7841
N               -1.0582      1.9276      1.5760
H                0.6941      1.5140     -0.9977
C                2.9722      0.7428     -0.2234
H                3.8783      0.3290      0.2377
H                3.0258      1.8353     -0.1234
H                3.0151      0.5089     -1.2955
13
Molecule009 HEAT OF FORMATION = -23.45004 KCAL = -98.11491 KJ
C                0.4997      0.6952     -0.2697
C                1.7764     -0.0204      0.2138
H                1.7825     -1.0710     -0.1431
H                1.7789     -0.0922      1.3193
O               -0.4796     -0.2949     -0.4979
H               -1.2492      0.1397     -0.8406
C                0.0439      1.6688      0.7349
N               -0.3089      2.4400      1.5236
H                0.6985      1.2739     -1.2088
C                3.0179      0.6952     -0.2697
H                3.9071      0.3922      0.2980
H                2.9306      1.7846     -0.1518
H                3.2159      0.4978     -1.3314
13
Molecule010 HEAT OF FORMATION = -22.79984 KCAL = -95.39448 KJ
C                0.4725      0.7141     -0.3365
C                1.7487     -0.0909     -0.0393
H                1.7509     -1.0020     -0.6705
H                1.7410     -0.4421      1.0104
O               -0.6156     -0.1699     -0.1547
H               -1.4055      0.3022     -0.3814
C                0.3580      1.8729      0.5637
N                0.2612      2.7843      1.2717
H                0.4630      1.1028     -1.3862
C                2.9978      0.7141     -0.3365
H                3.7930      0.5396      0.3998
H                2.8068      1.7972     -0.3250
H                3.4106      0.4753     -1.3253
