0 mol 1 unq 0 iso 0 dist 8.93702 5.99543 8.56884 7.48521 5.96833 4.50502 9.35554 9.01967 9.00903 10.8992 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.34656 15.0884 6.36911 16.3136 8.81608 6.88805 13.0935 6.06176 8.41585 5.99459 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.34656 6.3236 9.36807 16.3136 8.81608 13.156 12.8676 10.515 7.10621 9.67164 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 5.97065 10.1933 9.16962 4.18634 5.84066 8.25132 12.8678 11.887 8.34347 13.6027 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.43229 5.98221 7.76729 9.02908 8.0168 6.63111 13.352 10.7942 9.33865 6.39384 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.43229 5.98221 7.76729 9.02908 8.0168 6.63111 11.172 10.9739 5.83991 9.42082 numMergedOcc 0
6 mol 126 unq 0 iso 0 dist 6.35364 8.50279 7.75534 10.6053 8.7789 5.42561 11.0723 7.01257 6.06638 8.96947 numMergedOcc 0
7 mol 126 unq 1 iso 0 dist 6.35364 8.50279 7.75534 13.8413 9.93613 10.7549 11.0723 7.01257 6.06638 11.4624 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.59094 11.0811 7.92688 13.2035 9.10003 14.8533 8.95433 4.68409 7.11802 13.5288 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.59094 11.0811 7.92688 13.2035 9.10003 14.8533 13.7786 12.2037 8.00618 20.9604 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 9.70106 7.52846 9.38946 4.33327 7.29911 4.91785 12.6012 12.8482 6.43582 8.97626 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 6.58245 14.8922 8.99696 9.66766 9.27218 17.0276 15.5751 9.82139 8.56633 12.8171 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 7.54327 5.28657 6.16063 16.363 9.11572 13.1872 10.4208 11.3297 8.41436 17.3846 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 7.54327 5.28657 6.16063 16.363 9.11572 13.1872 13.7219 10.2563 8.92474 11.3419 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 9.24964 6.70342 9.58736 9.94369 7.02029 13.7306 6.45574 9.66021 5.4638 13.8176 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 5.71896 6.01036 9.58736 7.91326 7.02029 13.7306 8.14407 9.66021 5.4638 13.8176 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 8.3229 17.1296 9.58736 5.72513 7.02029 13.7306 15.9155 9.66021 5.4638 13.8176 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.07397 14.2669 7.67322 13.4501 7.39547 5.71717 15.0001 12.6986 7.31233 10.1172 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.91763 12.0885 7.67322 8.28104 7.39547 5.71717 18.1089 12.6986 7.31233 10.1172 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 6.27189 9.92738 7.67853 13.4399 8.84523 5.12237 12.454 6.64985 8.48753 6.44147 numMergedOcc 0
20 mol 272 unq 1 iso 0 dist 6.27189 9.92738 7.67853 5.87335 6.95241 5.41667 12.454 6.64985 8.48753 11.4951 numMergedOcc 0
