0 mol 25 unq 0 iso 0 dist 7.0928 6.04822 5.03027 11.7801 8.87757 12.7995 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.0928 7.72717 8.17061 11.7801 8.87757 13.3492 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.16036 6.86391 6.16718 9.5746 9.6782 13.4061 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.89394 8.3435 4.46885 10.9738 6.95572 9.92987 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 5.89394 8.3435 4.46885 10.3703 7.38677 11.4716 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 5.09114 7.34585 6.9791 10.5529 9.23819 12.291 numMergedOcc 0
6 mol 122 unq 1 iso 0 dist 5.09114 7.34585 6.9791 9.32745 8.88537 13.8731 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 8.38646 9.69767 9.19101 6.24872 7.73435 12.6339 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 8.38646 9.69767 9.19101 10.4668 9.3778 14.8345 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 8.14071 7.11486 6.16616 9.81728 9.36851 12.8649 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 8.14071 7.11486 6.16616 6.95825 4.97175 9.35533 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 6.7319 8.1368 11.4245 8.10288 6.6554 15.6048 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.7168 9.8506 15.239 6.57631 9.99156 16.3886 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 9.7168 9.8506 15.239 8.40891 8.18085 17.6216 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 9.61132 9.91991 15.2388 6.56068 9.8656 16.4395 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 9.61132 9.91991 15.2388 8.32178 7.94889 17.5615 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 7.78695 9.36133 4.48323 9.00075 9.17787 12.5346 numMergedOcc 0
17 mol 159 unq 1 iso 0 dist 7.78695 9.36133 4.48323 11.6088 8.4858 9.35202 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 6.31492 8.45614 4.88992 7.00671 6.73956 8.62102 numMergedOcc 0
19 mol 182 unq 1 iso 0 dist 6.31492 8.45614 4.88992 11.1247 7.09394 10.0627 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 5.80867 8.37455 6.0599 6.42799 6.34616 11.5067 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 9.4363 8.80827 15.1173 10.4394 6.34616 16.6656 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 9.4363 8.17562 6.0599 10.4394 6.34616 11.5067 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 5.52981 5.92364 6.04002 5.3192 6.1951 9.89517 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.29203 9.97859 16.7443 13.6806 7.57812 17.6277 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.29203 9.97859 16.7443 16.2617 8.69104 22.4954 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 7.80166 9.97859 10.4706 13.6806 9.24557 17.6277 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.49599 7.8428 9.99423 10.451 7.98231 14.2068 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.47382 7.8428 8.81358 10.451 7.08526 14.2068 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 9.27402 7.21255 10.6409 15.7062 9.33437 12.998 numMergedOcc 0
30 mol 284 unq 1 iso 0 dist 9.26573 7.21255 6.25608 15.7062 7.8343 12.998 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 6.8133 6.98961 5.50627 7.95758 7.83341 12.2918 numMergedOcc 0
