0 mol 16 unq 0 iso 0 dist 8.17898 5.36911 5.30082 5.72175 5.05803 6.93532 12.0005 7.03948 11.7521 6.2983 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 5.54343 9.23947 6.21578 5.59762 9.67592 9.97159 5.68492 8.68586 9.32552 5.3948 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.79954 6.66506 5.11416 12.8388 9.96396 9.24757 13.1044 8.70133 7.10439 7.41074 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 5.79954 6.66506 5.11416 9.65653 9.75218 13.0145 13.1044 8.70133 7.10439 15.9882 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.79954 6.66506 5.11416 14.1415 9.38498 13.8696 13.1044 8.70133 7.10439 13.4082 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.22376 9.04728 4.65335 5.75796 7.47541 10.0796 13.0379 7.22293 11.8261 7.98917 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.22376 9.04728 4.65335 3.85308 7.66905 7.54568 13.0379 7.22293 11.8261 11.6116 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 9.22376 9.04728 4.65335 9.77828 5.73196 9.39864 13.0379 7.22293 11.8261 6.47779 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 7.76275 7.01545 7.0785 13.1838 9.36773 14.9941 8.71166 9.2603 13.5995 6.95868 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 7.76275 7.01545 7.0785 12.6939 8.31336 15.1191 8.71166 9.2603 13.5995 6.97239 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 6.6776 8.79832 8.29015 13.7028 9.0018 10.4182 10.2578 9.8589 5.4997 8.22779 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 6.6776 8.79832 8.29015 10.4662 5.6234 11.6765 10.2578 9.8589 5.4997 10.5631 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 6.6776 8.79832 8.29015 7.42609 6.57069 9.77896 10.2578 9.8589 5.4997 7.5414 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 13.4646 7.10633 11.5776 11.695 5.90931 11.641 5.09262 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 7.7292 8.82861 5.86489 9.54287 8.51516 7.32294 11.695 5.90931 11.641 12.9483 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 10.6943 9.23153 6.59716 10.4277 6.84247 9.7334 6.7067 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 8.9077 7.46122 7.11498 10.6943 9.23153 6.59716 12.6281 6.99002 13.5801 15.9568 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 8.9077 7.46122 7.11498 15.396 8.24498 13.1498 10.4277 6.84247 9.7334 6.05129 numMergedOcc 0
18 mol 220 unq 3 iso 0 dist 8.9077 7.46122 7.11498 15.396 8.24498 13.1498 12.6281 6.99002 13.5801 11.1321 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 8.53729 9.29788 5.78064 16.1265 9.02271 13.07 15.6651 7.19465 9.58354 7.92528 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 8.07341 9.50983 5.78064 16.581 9.02271 13.07 14.0411 7.19465 9.58354 7.92528 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.43264 7.54955 5.28793 6.19628 8.29103 9.4406 8.04009 5.24676 7.48269 4.22352 numMergedOcc 0
