0 mol 8 unq 0 iso 0 dist 7.45487 5.43751 9.62879 9.29802 9.01112 7.12261 9.49106 8.4069 8.96553 12.536 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 6.04677 8.43054 4.65873 9.18436 6.92781 5.05803 6.57331 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.84479 6.53177 7.63133 6.04677 8.43054 9.81307 8.67719 5.32694 5.46498 11.1513 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 5.84479 6.53177 7.63133 6.04677 8.43054 9.81307 13.4596 10.4155 8.71745 16.7405 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 10.5945 8.09311 11.6226 10.6042 10.0952 6.86014 16.0162 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 17.5782 9.05357 13.1949 10.6042 10.0952 6.86014 16.8554 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 5.04521 9.22598 9.87158 12.9335 5.30792 6.86465 13.3281 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 7.84983 11.5882 6.62496 5.04521 9.22598 9.87158 9.56737 4.81926 6.35756 8.96727 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.56737 11.5882 6.35756 5.04521 8.96727 9.87158 12.9335 5.35073 6.86465 13.3281 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 9.56737 11.5882 6.35756 5.04521 8.96727 9.87158 7.84983 4.81926 6.62496 9.22598 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 9.56737 11.5882 6.35756 10.2341 8.01308 5.86526 12.9335 5.35073 6.86465 11.5155 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 9.56737 11.5882 6.35756 10.2341 8.01308 5.86526 7.84983 4.81926 6.62496 9.55996 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 12.0661 7.57295 7.80499 10.9217 6.54743 8.90863 7.48086 numMergedOcc 0
13 mol 60 unq 1 iso 0 dist 5.83937 9.96073 6.43294 12.0661 7.57295 8.62476 14.8574 10.1562 8.33063 12.8147 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 5.83937 9.96073 6.43294 12.0661 7.57295 8.62476 11.1212 5.67502 8.7531 8.4312 numMergedOcc 0
15 mol 60 unq 3 iso 0 dist 8.82095 5.63638 6.65595 7.32774 7.57295 7.80499 6.27749 6.54743 8.90863 7.48086 numMergedOcc 0
16 mol 60 unq 4 iso 0 dist 8.82095 13.6099 6.43294 7.32774 7.57295 8.62476 17.2674 10.1562 8.33063 12.8147 numMergedOcc 0
17 mol 60 unq 5 iso 0 dist 8.82095 13.6099 6.43294 7.32774 7.57295 8.62476 10.5768 5.67502 8.7531 8.4312 numMergedOcc 0
18 mol 60 unq 6 iso 0 dist 6.27749 5.63638 8.90863 4.44758 9.95132 8.27828 8.82095 6.54743 6.65595 12.544 numMergedOcc 0
19 mol 60 unq 7 iso 0 dist 6.27749 5.63638 8.90863 7.32774 7.48086 7.80499 8.82095 6.54743 6.65595 7.57295 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 9.514 11.8037 7.4729 12.7532 8.3773 4.46885 13.0248 8.95922 6.82344 11.1432 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 8.21889 5.5332 7.34473 10.4255 6.29161 6.73011 9.74643 7 8.58044 11.0751 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 8.21889 5.5332 7.34473 10.4255 6.29161 6.73011 6.86702 8.40993 9.97763 13.6787 numMergedOcc 0
23 mol 109 unq 2 iso 0 dist 8.21889 5.5332 7.34473 14.5244 7.86666 13.0886 9.74643 7 8.58044 14.3511 numMergedOcc 0
24 mol 109 unq 3 iso 0 dist 8.21889 5.5332 7.34473 14.5244 7.86666 13.0886 6.86702 8.40993 9.97763 15.7916 numMergedOcc 0
25 mol 117 unq 0 iso 0 dist 7.70533 14.3476 7.90328 6.66127 6.10127 10.5783 14.7579 7.22206 7.83136 11.6387 numMergedOcc 0
26 mol 117 unq 1 iso 0 dist 7.70533 14.3476 7.90328 6.66127 6.10127 10.5783 16.223 9.3584 7.0603 14.762 numMergedOcc 0
27 mol 117 unq 2 iso 0 dist 9.85576 10.4589 7.90328 12.4378 8.84018 7.20875 12.1493 13.1058 9.84395 16.804 numMergedOcc 0
28 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 12.1959 6.08673 12.8087 12.4824 7.30196 8.14887 12.1234 numMergedOcc 0
29 mol 129 unq 0 iso 0 dist 6.29026 11.5533 8.54584 4.79473 5.51197 12.1739 10.5241 4.61027 8.53613 9.97604 numMergedOcc 0
30 mol 129 unq 1 iso 0 dist 6.29026 11.5533 8.54584 10.1802 8.86944 5.63254 10.5241 4.61027 8.53613 11.1246 numMergedOcc 0
31 mol 129 unq 2 iso 0 dist 6.29026 11.5533 8.54584 5.04019 6.69691 8.26896 10.5241 4.61027 8.53613 10.5979 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 9.4473 15.4455 8.22656 12.9426 7.22643 6.9945 15.6584 6.65743 7.24514 10.4642 numMergedOcc 0
33 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 9.23267 7.81207 4.67662 10.5524 5.32922 5.31024 6.14151 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 7.57458 13.1936 9.2313 13.4776 7.18002 13.5913 10.5524 5.32922 5.31024 10.7696 numMergedOcc 0
35 mol 142 unq 2 iso 0 dist 7.57458 12.288 7.73169 9.23267 7.81207 5.81599 10.5524 5.32922 7.26382 6.14151 numMergedOcc 0
36 mol 142 unq 3 iso 0 dist 7.57458 12.288 7.73169 13.4776 7.18002 9.99555 10.5524 5.32922 7.26382 10.7696 numMergedOcc 0
37 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 9.0696 6.59889 5.39112 14.5119 7.65448 6.70283 6.70693 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 8.89982 13.2491 8.56324 9.0696 6.59889 5.39112 18.3598 10.6875 7.16148 10.4895 numMergedOcc 0
39 mol 152 unq 2 iso 0 dist 8.89982 13.2491 8.56324 9.83062 8.9192 4.84714 14.5119 7.65448 6.70283 9.27706 numMergedOcc 0
40 mol 152 unq 3 iso 0 dist 8.89982 13.2491 8.56324 9.83062 8.9192 4.84714 18.3598 10.6875 7.16148 11.6735 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 3.56689 8.08349 5.13732 14.4547 9.54151 9.40098 11.2501 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 6.08709 7.85135 6.61986 11.4272 8.08349 5.13732 13.1222 9.54151 9.40098 11.2501 numMergedOcc 0
43 mol 224 unq 2 iso 0 dist 9.79616 5.63485 6.57273 12.65 8.79428 7.05804 9.34636 4.70378 8.95269 13.2325 numMergedOcc 0
44 mol 224 unq 3 iso 0 dist 9.79616 5.63485 6.57273 12.65 8.79428 7.05804 10.0081 8.49799 5.78342 6.8692 numMergedOcc 0
45 mol 224 unq 4 iso 0 dist 9.79616 9.36962 6.60589 12.65 8.79428 5.76843 14.828 6.77699 6.65832 6.99769 numMergedOcc 0
46 mol 224 unq 5 iso 0 dist 9.79616 9.36962 6.60589 12.65 8.79428 5.76843 10.0081 8.49799 9.16166 6.8692 numMergedOcc 0
47 mol 224 unq 6 iso 0 dist 9.29703 4.8786 5.78342 9.56183 6.8692 7.05804 12.8171 11.5372 8.95269 13.2325 numMergedOcc 0
48 mol 224 unq 7 iso 0 dist 9.29703 4.8786 5.78342 9.56183 6.8692 7.05804 11.1052 8.49799 6.57273 8.79428 numMergedOcc 0
49 mol 224 unq 8 iso 0 dist 9.29703 7.18448 9.16166 9.56183 6.8692 5.76843 13.5897 11.328 6.65832 6.99769 numMergedOcc 0
50 mol 224 unq 9 iso 0 dist 9.29703 7.18448 9.16166 9.56183 6.8692 5.76843 11.1052 8.49799 6.60589 8.79428 numMergedOcc 0
51 mol 236 unq 0 iso 0 dist 9.10613 6.0258 8.04248 4.8226 8.23087 4.66414 12.9448 7.43758 8.35971 11.5798 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 5.24313 12.1448 7.31233 12.4194 9.12776 10.3162 10.2654 5.34096 6.22714 8.69015 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 6.77279 5.71237 8.13497 9.90573 9.07743 8.8603 9.58006 4.69778 7.88519 7.66153 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 9.58006 5.71237 7.88519 12.7528 9.63573 7.20604 6.77279 4.69778 8.13497 12.8229 numMergedOcc 0
55 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 9.90573 7.66153 8.8603 6.77279 4.69778 8.13497 9.07743 numMergedOcc 0
56 mol 259 unq 3 iso 0 dist 7.93997 14.8465 7.46176 7.06301 5.85442 10.067 13.8509 6.96053 7.88519 10.3406 numMergedOcc 0
57 mol 259 unq 4 iso 0 dist 7.93997 14.8465 7.46176 7.06301 5.85442 10.067 14.9816 7.64658 7.84554 12.8546 numMergedOcc 0
58 mol 259 unq 5 iso 0 dist 7.93997 14.8465 7.46176 7.06301 5.85442 10.067 17.3348 10.5239 9.18903 16.0301 numMergedOcc 0
59 mol 259 unq 6 iso 0 dist 7.93997 14.8465 7.46176 7.80863 6.95511 11.6988 13.8509 6.96053 7.88519 9.46361 numMergedOcc 0
60 mol 259 unq 7 iso 0 dist 7.93997 14.8465 7.46176 7.80863 6.95511 11.6988 14.9816 7.64658 7.84554 12.8903 numMergedOcc 0
61 mol 259 unq 8 iso 0 dist 7.93997 14.8465 7.46176 7.80863 6.95511 11.6988 17.3348 10.5239 9.18903 17.104 numMergedOcc 0
62 mol 280 unq 0 iso 0 dist 8.85762 4.95798 6.0664 7.42656 6.86234 4.90315 11.1402 5.51836 6.53701 6.02353 numMergedOcc 0
