0 mol 26 unq 0 iso 0 dist 7.34549 4.76147 8.34347 7.23551 6.73162 7.23546 6.42206 5.3315 6.88695 9.97117 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.09068 6.30129 8.34347 4.03252 6.73162 7.23546 10.1907 5.3315 6.88695 9.97117 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.72289 5.93227 8.34347 8.34836 6.73162 7.23546 9.66602 5.3315 6.88695 9.97117 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 5.11612 6.86762 5.83991 5.39389 7.76729 10.9739 8.21127 6.75472 5.02717 13.1716 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 5.22628 6.8104 6.11741 9.16391 9.66954 4.61908 7.99121 6.59772 4.98864 9.44544 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 5.22628 6.8104 6.11741 9.16391 9.66954 4.61908 6.30982 4.86477 7.95871 12.2966 numMergedOcc 0
6 mol 115 unq 3 iso 0 dist 5.22628 6.8104 6.11741 5.26498 7.64585 10.8939 7.99121 6.59772 4.98864 12.7883 numMergedOcc 0
7 mol 115 unq 4 iso 0 dist 5.22628 6.8104 6.11741 5.26498 7.64585 10.8939 6.30982 4.86477 7.95871 10.1292 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 9.46933 8.59981 14.085 15.4787 8.60326 9.42513 16.2351 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 8.09965 11.3174 9.30299 6.50291 7.34519 13.1312 15.4787 8.60326 9.42513 13.306 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.94909 8.76089 7.11802 11.1266 7.92688 4.68409 5.7232 5.37072 9.50322 11.5756 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 11.1266 7.92688 12.2037 5.7232 5.37072 5.82404 11.5756 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 10.9336 6.93764 4.80231 18.2681 12.9554 9.84952 14.2389 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 6.43406 10.9813 7.81386 4.56814 4.93785 6.7991 5.08796 4.3158 9.84952 6.17129 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 8.80581 10.209 7.63312 5.98221 6.93764 4.80231 18.2493 12.9554 9.84952 14.2389 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 6.15396 8.36822 5.71262 13.6095 8.43102 9.90531 14.1636 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 4.53973 7.06793 9.36098 16.4561 9.98893 8.39002 14.5909 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 5.98813 6.67585 5.29877 16.4561 9.98893 8.39002 11.3096 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 8.84872 4.28841 5.4638 13.4086 9.58736 9.66021 10.014 5.23741 8.48065 14.8164 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.99137 13.3575 7.68742 4.47231 5.34718 11.3552 14.592 11.247 9.89665 10.3034 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 5.99137 5.03598 6.27581 4.47231 5.34718 6.04825 4.43243 4.15973 5.66569 6.98151 numMergedOcc 0
21 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 4.47231 5.34718 6.04825 5.92025 9.01197 6.11137 9.91572 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.39522 4.88998 6.57393 10.4124 6.91569 10.9761 12.0437 10.3859 9.13537 17.1186 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.20344 5.56656 7.88519 12.9748 7.48005 11.6195 8.93002 9.79538 8.06771 13.1236 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.20344 10.3156 7.46176 12.9748 7.48005 5.79468 18.2527 15.3806 9.54857 10.5864 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 9.45818 10.6944 9.14619 8.80851 7.47164 7.49174 12.0331 4.49913 8.65236 10.4678 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 9.45818 13.2478 8.45658 8.80851 7.47164 5.22253 12.0331 4.49913 9.73983 10.4678 numMergedOcc 0
