0 mol 9 unq 0 iso 0 dist 8.47421 8.55451 5.66192 8.27962 9.29529 13.2602 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 8.55451 5.66192 11.4878 7.2199 12.6418 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.47421 5.8245 3.91075 8.27962 9.29529 9.71516 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.47421 5.8245 3.91075 11.4878 7.2199 9.81658 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.68559 7.26268 5.57199 7.93694 7.18766 10.1386 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 8.68559 7.26268 5.57199 6.68431 7.48825 8.74576 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 7.45237 8.70192 10.5834 6.42104 8.43814 14.3743 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 7.45237 8.70192 10.5834 6.42248 8.16689 14.1214 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 6.34173 9.33906 6.00679 6.89191 8.59109 13.126 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 6.99408 5.94756 4.51883 7.39653 8.13782 5.81001 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 8.09058 9.17838 8.47849 4.84988 9.54797 10.9551 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 5.64209 6.50297 13.3982 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 12.7331 6.96494 20.5213 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 8.89374 8.96727 14.6599 7.05413 7.01363 15.7229 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 8.89374 8.01308 9.47022 12.7331 6.96494 16.0898 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 8.89374 8.01308 9.47022 7.05413 7.01363 12.8612 numMergedOcc 0
17 mol 64 unq 0 iso 0 dist 8.68586 9.86334 8.84224 5.35421 8.4517 13.6664 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 numMergedOcc 0
19 mol 72 unq 1 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 numMergedOcc 0
20 mol 72 unq 2 iso 0 dist 7.321 9.55118 6.74416 7.11552 9.19459 5.4605 numMergedOcc 0
21 mol 72 unq 3 iso 0 dist 7.321 9.55118 6.74416 7.17489 8.59747 6.7272 numMergedOcc 0
22 mol 72 unq 4 iso 0 dist 7.321 9.10345 5.63793 7.11552 9.19459 10.8476 numMergedOcc 0
23 mol 72 unq 5 iso 0 dist 7.321 9.10345 5.63793 7.17489 8.59747 7.64009 numMergedOcc 0
24 mol 88 unq 0 iso 0 dist 8.66514 7.80898 7.15936 5.90098 7.71582 11.1055 numMergedOcc 0
25 mol 88 unq 1 iso 0 dist 9.25235 7.80898 10.8763 5.90098 6.65776 11.1055 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 12.1324 9.86739 10.4222 numMergedOcc 0
27 mol 114 unq 1 iso 0 dist 6.73814 5.7144 4.81369 6.95201 8.39249 5.51885 numMergedOcc 0
28 mol 114 unq 2 iso 0 dist 6.73814 5.7144 4.81369 5.9968 8.93623 10.4626 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 6.34759 7.99631 10.2461 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 7.76729 6.24825 5.78043 10.2377 6.40036 7.65255 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 7.64585 6.39384 5.65471 10.7942 6.40036 8.0168 numMergedOcc 0
32 mol 127 unq 0 iso 0 dist 9.81878 6.08673 12.2579 14.085 6.3244 17.7403 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 5.9915 6.4218 5.73203 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 8.94837 7.99477 9.61537 5.9915 6.4218 6.57379 numMergedOcc 0
35 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 7.57216 6.2135 10.25 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 6.3437 6.51096 13.5963 numMergedOcc 0
37 mol 155 unq 1 iso 0 dist 9.14392 8.97626 12.0485 9.99927 8.73171 14.7426 numMergedOcc 0
38 mol 155 unq 2 iso 0 dist 7.51198 8.97626 4.48516 8.27726 7.37901 5.36254 numMergedOcc 0
39 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 11.1059 8.74171 11.2873 numMergedOcc 0
40 mol 213 unq 1 iso 0 dist 9.59129 8.21793 4.89372 12.2579 8.74171 12.1094 numMergedOcc 0
41 mol 218 unq 0 iso 0 dist 8.53199 7.33709 11.6662 7.47048 6.75035 12.5343 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 7.12232 9.47554 10.8888 numMergedOcc 0
43 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 numMergedOcc 0
44 mol 225 unq 1 iso 0 dist 5.50387 8.1945 3.92979 7.12954 9.36396 9.59574 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 8.8709 6.152 11.5426 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 8.17891 5.23634 4.09934 13.3557 7.95168 11.5426 numMergedOcc 0
47 mol 227 unq 2 iso 0 dist 6.95902 6.91318 4.09934 8.8709 7.95168 11.5426 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 numMergedOcc 0
49 mol 234 unq 1 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 numMergedOcc 0
50 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 6.29366 5.32183 7.20293 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 numMergedOcc 0
53 mol 238 unq 2 iso 0 dist 5.9216 8.82351 4.40419 10.438 8.70193 12.5268 numMergedOcc 0
54 mol 238 unq 3 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 numMergedOcc 0
55 mol 250 unq 0 iso 0 dist 8.80086 6.59244 6.0473 11.0402 7.88284 12.379 numMergedOcc 0
56 mol 250 unq 1 iso 0 dist 8.80086 6.59244 6.0473 7.26274 9.88279 11.304 numMergedOcc 0
57 mol 274 unq 0 iso 0 dist 6.50589 9.30212 15.0646 5.31116 8.49866 12.703 numMergedOcc 0
58 mol 274 unq 1 iso 0 dist 6.50589 6.4611 5.70568 5.31116 8.49866 6.66172 numMergedOcc 0
