0 mol 1 unq 0 iso 0 dist 9.76602 5.55519 6.2936 8.61411 10.4951 5.74199 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.19544 7.42909 6.88546 9.17577 6.10381 5.20237 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 6.88374 4.44905 5.55574 12.9448 8.07336 9.35912 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.23138 7.89444 9.23947 12.8981 11.3115 6.08228 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.51406 6.16048 6.93893 10.8851 9.0185 5.78962 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.11127 4.24483 5.74593 10.4992 7.27534 7.12199 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.11127 4.24483 5.74593 7.81131 9.58876 7.90837 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 6.37888 6.18402 5.74593 9.99537 7.27534 7.12199 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 6.37888 6.18402 5.74593 13.6753 9.58876 7.90837 numMergedOcc 0
9 mol 92 unq 4 iso 0 dist 7.11438 11.011 5.74593 11.8411 7.27534 7.12199 numMergedOcc 0
10 mol 92 unq 5 iso 0 dist 7.11438 11.011 5.74593 16.5891 9.58876 7.90837 numMergedOcc 0
11 mol 92 unq 6 iso 0 dist 6.91655 4.24483 8.02376 10.4992 9.23369 7.12199 numMergedOcc 0
12 mol 92 unq 7 iso 0 dist 6.91655 4.24483 8.02376 7.81131 5.64135 7.90837 numMergedOcc 0
13 mol 92 unq 8 iso 0 dist 9.18898 4.68995 6.15654 12.8843 7.21296 9.56884 numMergedOcc 0
14 mol 92 unq 9 iso 0 dist 9.18898 4.68995 6.15654 5.74364 9.52463 8.67865 numMergedOcc 0
15 mol 92 unq 10 iso 0 dist 9.18898 4.68995 6.15654 8.60026 9.30089 8.40148 numMergedOcc 0
16 mol 92 unq 11 iso 0 dist 7.67331 4.68995 7.89887 12.8843 9.18931 9.56884 numMergedOcc 0
17 mol 92 unq 12 iso 0 dist 7.67331 4.68995 7.89887 5.74364 6.07224 8.67865 numMergedOcc 0
18 mol 92 unq 13 iso 0 dist 7.67331 4.68995 7.89887 8.60026 5.77554 8.40148 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 5.49198 8.22726 7.50264 13.5964 9.66528 7.85526 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.49198 8.22726 7.50264 9.49104 5.45341 5.33543 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 7.6793 3.56357 8.71007 6.32669 4.8653 8.56593 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 9.41073 7.75436 8.40219 8.52428 7.24469 9.13646 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 9.51638 7.46995 9.31172 13.1027 14.253 5.97008 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 8.98598 5.79567 9.87211 7.56537 4.91904 8.51118 numMergedOcc 0
25 mol 197 unq 1 iso 0 dist 8.98598 5.79567 9.87211 9.89975 6.79468 6.5 numMergedOcc 0
26 mol 197 unq 2 iso 0 dist 7.06689 5.79567 6.3997 7.56537 7.59634 8.51118 numMergedOcc 0
27 mol 197 unq 3 iso 0 dist 7.06689 5.79567 6.3997 9.89975 5.31205 6.5 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.62191 4.72843 9.46973 5.67196 6.08392 7.00683 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 6.32097 10.4255 9.33514 17.2113 13.1451 9.17355 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 7.4513 4.68697 7.46122 10.0343 4.39102 7.86207 numMergedOcc 0
31 mol 244 unq 0 iso 0 dist 8.08939 16.7895 9.97458 21.7408 16.0237 6.51428 numMergedOcc 0
32 mol 244 unq 1 iso 0 dist 7.33574 15.1633 9.97458 20.3512 16.0237 6.51428 numMergedOcc 0
33 mol 253 unq 0 iso 0 dist 9.69704 14.7487 9.50983 17.0634 7.48646 9.58767 numMergedOcc 0
34 mol 257 unq 0 iso 0 dist 8.4302 4.65989 8.64133 8.9297 11.0338 6.51449 numMergedOcc 0
35 mol 257 unq 1 iso 0 dist 8.4302 4.65989 8.64133 12.8791 8.81343 9.50221 numMergedOcc 0
