0 mol 45 unq 0 iso 0 dist 6.34173 9.33906 6.00679 5.24762 7.06308 11.5679 6.89191 8.59109 13.126 9.01651 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.34173 9.33906 6.00679 5.101 9.43442 13.9885 6.89191 8.59109 13.126 5.54436 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 6.99408 5.94756 4.51883 6.11102 9.3403 10.7728 7.39653 8.13782 5.81001 10.6095 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 11.0466 7.58407 18.0198 4.55117 8.80108 7.03126 14.7581 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 11.0466 7.58407 18.0198 5.64209 6.50297 13.3982 8.74789 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.40841 8.69057 11.0945 5.90225 6.31428 13.1897 4.55117 8.80108 7.03126 10.3782 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.40841 8.69057 11.0945 5.90225 6.31428 13.1897 5.64209 6.50297 13.3982 7.02095 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 8.89374 8.96727 14.6599 5.35073 8.63333 13.3281 12.7331 6.96494 20.5213 10.6476 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 8.89374 8.96727 14.6599 5.35073 8.63333 13.3281 7.05413 7.01363 15.7229 5.92889 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 8.89374 8.96727 14.6599 8.62958 6.46761 14.4498 12.7331 6.96494 20.5213 8.74789 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 8.89374 8.96727 14.6599 8.62958 6.46761 14.4498 7.05413 7.01363 15.7229 6.61756 numMergedOcc 0
11 mol 58 unq 8 iso 0 dist 8.89374 8.96727 14.6599 14.176 9.73139 20.9029 12.7331 6.96494 20.5213 7.02095 numMergedOcc 0
12 mol 58 unq 9 iso 0 dist 8.89374 8.96727 14.6599 14.176 9.73139 20.9029 7.05413 7.01363 15.7229 8.94672 numMergedOcc 0
13 mol 58 unq 10 iso 0 dist 8.89374 8.01308 9.47022 5.35073 8.63333 11.5155 12.7331 6.96494 16.0898 10.6476 numMergedOcc 0
14 mol 58 unq 11 iso 0 dist 8.89374 8.01308 9.47022 5.35073 8.63333 11.5155 7.05413 7.01363 12.8612 5.92889 numMergedOcc 0
15 mol 58 unq 12 iso 0 dist 8.89374 8.01308 9.47022 8.62958 6.46761 10.6166 12.7331 6.96494 16.0898 8.74789 numMergedOcc 0
16 mol 58 unq 13 iso 0 dist 8.89374 8.01308 9.47022 8.62958 6.46761 10.6166 7.05413 7.01363 12.8612 6.61756 numMergedOcc 0
17 mol 58 unq 14 iso 0 dist 8.89374 8.01308 9.47022 14.176 9.73139 16.7574 12.7331 6.96494 16.0898 7.02095 numMergedOcc 0
18 mol 58 unq 15 iso 0 dist 8.89374 8.01308 9.47022 14.176 9.73139 16.7574 7.05413 7.01363 12.8612 8.94672 numMergedOcc 0
19 mol 64 unq 0 iso 0 dist 8.68586 9.86334 8.84224 10.6748 9.54144 16.9931 5.35421 8.4517 13.6664 5.68303 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 5.36766 6.77912 7.12321 6.00418 9.19459 9.14817 9.0131 numMergedOcc 0
21 mol 72 unq 1 iso 0 dist 6.77912 7.12321 9.88768 5.36766 8.624 9.74228 9.0131 9.19459 9.14817 6.00418 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 7.93571 7.77454 11.0651 5.9915 6.4218 5.73203 10.7186 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 8.94837 7.99477 9.61537 7.93571 7.77454 12.782 5.9915 6.4218 6.57379 10.7186 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 5.67306 9.54444 11.7578 7.57216 6.2135 10.25 6.96143 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 5.71071 7.16254 12.9034 6.3437 6.51096 13.5963 4.9093 numMergedOcc 0
26 mol 155 unq 1 iso 0 dist 9.14392 8.97626 12.0485 5.71071 7.16254 12.9034 9.99927 8.73171 14.7426 10.7896 numMergedOcc 0
27 mol 155 unq 2 iso 0 dist 7.51198 8.97626 4.48516 5.71071 9.86313 12.9034 8.27726 7.37901 5.36254 13.5062 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 13.7995 9.59129 15.41 11.1059 8.74171 11.2873 12.2579 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 9.59129 8.21793 4.89372 13.7995 8.45368 12.6769 12.2579 8.74171 12.1094 11.1059 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 4.70378 6.67585 13.2325 7.12232 9.47554 10.8888 7.98696 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.17891 5.23634 4.09934 5.22356 6.95902 6.91318 13.3557 7.95168 11.5426 8.8709 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 6.95902 6.91318 4.09934 5.22356 8.17891 5.23634 8.8709 7.95168 11.5426 13.3557 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 7.02475 9.12776 13.037 12.9854 8.96531 14.1555 8.82861 6.65088 9.84652 4.65297 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 5.9216 8.82351 4.40419 5.40359 9.90142 11.1059 10.438 8.70193 12.5268 15.7973 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 7.19008 9.12776 6.12722 5.34096 7.49471 8.69015 8.82861 6.17025 9.84652 12.1252 numMergedOcc 0
