0 mol 28 unq 0 iso 0 dist 8.70005 9.38747 11.4016 9.75673 15.6644 7.13468 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.70005 9.38747 11.4016 5.64235 11.8464 9.57803 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.83168 8.40467 13.4544 4.30283 7.56095 9.20625 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.58709 7.67459 8.75469 11.1757 13.7462 7.32236 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.53564 7.62469 6.44784 10.1488 13.9432 8.90701 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.49909 8.0757 4.98324 12.7184 11.9991 8.12708 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 8.37022 9.8958 4.98324 12.7555 11.9991 8.12708 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.40544 8.8894 10.2375 6.52836 10.8123 6.14769 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 9.40544 8.8894 10.2375 5.72591 13.8137 8.02616 numMergedOcc 0
9 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 4.89854 6.00045 8.20354 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 12.2127 13.6133 9.17101 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 5.94075 9.15159 7.9212 12.8766 13.3979 7.45761 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 8.67807 8.15275 5.46023 6.22351 11.0064 9.87312 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 7.72242 5.83093 5.21255 8.82579 10.7624 5.90008 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 7.68078 8.94889 12.3142 10.4785 16.796 6.93215 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 9.26518 8.94889 13.7365 10.4785 11.609 6.93215 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 9.5045 5.17916 6.77642 8.66522 10.6007 8.60727 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.06201 7.35677 7.83342 4.38027 12.9133 8.96074 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.01565 7.10828 5.94643 13.6835 6.71734 9.90442 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 9.05149 8.13605 11.3568 8.72592 16.5828 7.8339 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 9.64886 8.96253 14.3335 5.02504 9.17214 9.05171 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 9.64886 8.96253 14.3335 4.34203 12.6933 5.46946 numMergedOcc 0
22 mol 261 unq 2 iso 0 dist 9.64886 8.96253 14.3335 6.7438 16.1085 8.24264 numMergedOcc 0
23 mol 261 unq 3 iso 0 dist 8.64393 8.25759 7.45398 14.9805 17.0424 9.66703 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 6.15136 6.93798 4.67572 8.33215 7.15632 4.1631 numMergedOcc 0
