0 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 8.50424 8.076 7.35972 15.1483 11.0722 16.147 9.62394 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.9944 6.55811 4.58685 6.02809 6.32226 7.35972 14.896 14.814 16.147 9.62394 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.9944 7.36018 5.83039 6.02809 6.32226 9.93542 14.896 14.814 19.4709 9.62394 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.9944 8.48677 9.06304 6.02809 6.32226 12.3519 14.896 14.814 21.7436 9.62394 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 7.032 8.64915 4.58685 4.98827 6.32226 7.35972 13.3648 14.814 16.147 9.62394 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 7.032 8.17347 5.83039 4.98827 6.32226 9.93542 13.3648 14.814 19.4709 9.62394 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 7.032 7.83133 9.193 4.98827 6.32226 11.9655 13.3648 14.814 20.5625 9.62394 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 4.97119 6.39966 9.95212 4.54938 5.18512 9.74255 6.41575 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 6.92532 7.75618 13.9675 4.97119 6.39966 9.95212 6.864 9.47529 7.08342 6.41423 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 4.32034 9.69752 8.00171 6.86014 6.00575 6.66749 7.33768 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 15.5324 17.4067 12.176 8.4051 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 6.86014 6.00575 6.66749 7.29868 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 8.86116 5.97304 14.012 8.60554 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 4.93188 8.70827 9.75636 5.11617 4.90592 12.8389 5.54419 4.33963 5.59311 8.4051 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 4.93188 8.70827 9.75636 5.11617 4.90592 12.8389 11.0194 12.0003 19.5098 7.29868 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 4.93188 8.70827 9.75636 5.11617 4.90592 12.8389 13.2433 11.2106 18.8774 8.60554 numMergedOcc 0
16 mol 24 unq 7 iso 0 dist 4.93188 8.70827 9.75636 10.8238 8.16324 11.6684 5.54419 4.33963 5.59311 8.75662 numMergedOcc 0
17 mol 24 unq 8 iso 0 dist 4.93188 8.70827 9.75636 10.8238 8.16324 11.6684 13.2433 11.2106 18.8774 9.44691 numMergedOcc 0
18 mol 24 unq 9 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 5.54419 4.33963 12.176 8.4051 numMergedOcc 0
19 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 11.0194 12.0003 6.66749 7.29868 numMergedOcc 0
20 mol 24 unq 11 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 13.2433 11.2106 14.012 8.60554 numMergedOcc 0
21 mol 24 unq 12 iso 0 dist 4.93188 6.73939 10.0715 10.8238 8.16324 15.7523 5.54419 4.33963 12.176 8.75662 numMergedOcc 0
22 mol 24 unq 13 iso 0 dist 4.93188 6.73939 10.0715 10.8238 8.16324 15.7523 13.2433 11.2106 14.012 9.44691 numMergedOcc 0
23 mol 24 unq 14 iso 0 dist 9.24958 9.12854 9.75636 13.2229 4.90592 12.8389 7.36323 4.33963 5.59311 8.4051 numMergedOcc 0
24 mol 24 unq 15 iso 0 dist 9.24958 9.12854 9.75636 13.2229 4.90592 12.8389 20.3888 12.0003 19.5098 7.29868 numMergedOcc 0
25 mol 24 unq 16 iso 0 dist 9.24958 9.12854 9.75636 13.2229 4.90592 12.8389 15.5296 11.2106 18.8774 8.60554 numMergedOcc 0
26 mol 24 unq 17 iso 0 dist 9.24958 9.12854 9.75636 6.7828 8.16324 11.6684 7.36323 4.33963 5.59311 8.75662 numMergedOcc 0
27 mol 24 unq 18 iso 0 dist 9.24958 9.12854 9.75636 6.7828 8.16324 11.6684 15.5296 11.2106 18.8774 9.44691 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 5.08437 7.32662 4.4057 6.7117 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 6.10456 6.934 9.67482 4.47349 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 10.1136 7.17433 12.0974 5.65185 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 8.03372 9.36851 6.84211 4.55551 9.94578 9.73158 5.83384 6.67948 10.7293 6.28565 numMergedOcc 0
32 mol 129 unq 1 iso 0 dist 8.03372 4.97175 4.53459 4.55551 9.94578 7.59327 5.83384 6.67948 7.29399 6.28565 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.7237 8.50562 18.6956 6.85062 9.32969 14.2045 9.90168 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 13.7237 8.50562 13.2952 6.85062 9.32969 5.09131 9.90168 numMergedOcc 0
35 mol 156 unq 0 iso 0 dist 5.38091 7.30357 12.4049 5.81563 7.46845 8.21184 11.6719 12.962 10.8404 9.00416 numMergedOcc 0
36 mol 156 unq 1 iso 0 dist 5.38091 8.61587 11.7015 5.81563 7.46845 5.9976 11.6719 12.962 5.18356 9.00416 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 7.35824 9.39352 10.3786 11.8693 5.89564 16.2138 18.431 11.3554 17.891 9.77896 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.51749 8.90963 13.0913 5.6044 7.11785 10.515 5.98885 5.93488 9.81073 9.72611 numMergedOcc 0
39 mol 204 unq 0 iso 0 dist 6.85441 9.68728 5.42649 5.86489 5.91727 10.2072 8.51516 5.74707 10.8573 7.32294 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 10.5803 5.8023 12.3508 8.50102 numMergedOcc 0
41 mol 232 unq 1 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 8.27212 8.25884 8.80479 9.40808 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 9.56685 9.85289 5.36428 5.29529 8.2997 6.88827 7.56915 5.90436 6.20558 8.52587 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 9.56685 9.85289 5.36428 5.29529 8.2997 6.88827 11.3168 10.4342 6.16703 6.39866 numMergedOcc 0
