0 mol 7 unq 0 iso 0 dist 7.21217 12.4418 9.36807 5.07985 6.1206 7.92429 13.2513 13.2247 6.36911 9.87885 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.21217 12.4418 9.36807 6.83196 7.67927 11.2233 13.2513 13.2247 6.36911 14.1836 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.84479 5.1298 5.47769 6.04677 8.43054 4.68733 9.18436 6.92781 7.03948 6.57331 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 5.84479 5.1298 5.47769 6.04677 8.43054 4.68733 8.67719 5.32694 6.58035 11.1513 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.56737 17.0485 8.89374 5.04521 8.96727 14.6599 12.9335 5.35073 8.63333 13.3281 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.56737 17.0485 8.89374 5.04521 8.96727 14.6599 17.1344 8.62958 6.46761 14.4498 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.56737 17.0485 8.89374 5.04521 8.96727 14.6599 23.3119 14.176 9.73139 20.9029 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 9.56737 17.0485 8.89374 10.2341 8.01308 9.47022 12.9335 5.35073 8.63333 11.5155 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 9.56737 17.0485 8.89374 10.2341 8.01308 9.47022 17.1344 8.62958 6.46761 10.6166 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 9.56737 17.0485 8.89374 10.2341 8.01308 9.47022 23.3119 14.176 9.73139 16.7574 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.514 5.02124 5.81965 12.7532 8.3773 7.94489 7.84888 5.02055 7.06013 12.4353 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 9.514 5.02124 5.81965 12.7532 8.3773 7.94489 13.0248 8.95922 9.70512 11.1432 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 7.70533 12.4058 6.62561 6.66127 6.10127 6.95589 14.7579 7.22206 7.63616 11.6387 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.42756 9.82776 6.93652 10.189 8.07097 4.22522 11.6435 5.67306 9.54444 11.7578 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 7.57458 5.81429 7.15475 9.23267 7.81207 5.26247 10.5524 5.32922 9.07935 6.14151 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 7.57458 5.81429 7.15475 13.4776 7.18002 12.2806 10.5524 5.32922 9.07935 10.7696 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 9.79616 5.03449 6.65984 12.65 8.79428 10.9705 9.34636 4.70378 6.67585 13.2325 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 7.2346 9.5053 7.32211 5.39025 5.1823 4.47008 15.0241 15.4 9.58736 11.0129 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 7.2346 9.5053 7.32211 5.39025 5.1823 4.47008 18.2941 14.4107 9.43058 12.9086 numMergedOcc 0
19 mol 235 unq 2 iso 0 dist 7.2346 9.5053 7.32211 5.39025 5.1823 4.47008 17.002 11.3789 8.75735 11.8988 numMergedOcc 0
20 mol 235 unq 3 iso 0 dist 7.2346 9.5053 7.32211 5.39025 5.1823 4.47008 10.5214 7.218 6.98084 8.19317 numMergedOcc 0
21 mol 235 unq 4 iso 0 dist 7.2346 9.5053 7.32211 4.3433 5.70635 7.34601 15.0241 15.4 9.58736 15.1974 numMergedOcc 0
22 mol 235 unq 5 iso 0 dist 7.2346 9.5053 7.32211 4.3433 5.70635 7.34601 18.2941 14.4107 9.43058 16.6119 numMergedOcc 0
23 mol 235 unq 6 iso 0 dist 7.2346 9.5053 7.32211 4.3433 5.70635 7.34601 17.002 11.3789 8.75735 14.6441 numMergedOcc 0
24 mol 235 unq 7 iso 0 dist 7.2346 9.5053 7.32211 4.3433 5.70635 7.34601 10.5214 7.218 6.98084 6.29377 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.24313 6.03021 6.55759 12.4194 9.12776 15.4844 6.83152 5.42006 5.38637 13.9551 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 5.24313 5.27451 7.02475 12.4194 9.12776 13.037 13.7608 12.9854 8.96531 14.1555 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 5.24313 11.3884 7.19008 12.4194 9.12776 6.12722 10.2654 5.34096 7.49471 8.69015 numMergedOcc 0
28 mol 238 unq 3 iso 0 dist 9.31417 18.4149 9.29858 13.338 9.72188 11.7938 17.1026 10.1648 9.68513 11.1002 numMergedOcc 0
29 mol 238 unq 4 iso 0 dist 5.56719 14.7671 9.29858 12.046 9.72188 11.7938 12.9351 10.1648 9.68513 11.1002 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.58006 15.1483 7.48005 12.7528 9.63573 9.98303 17.4878 12.5353 8.37865 17.0253 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 9.58006 15.1483 7.48005 9.90573 7.66153 14.0829 17.4878 12.5353 8.37865 20.1127 numMergedOcc 0
32 mol 276 unq 0 iso 0 dist 9.05218 11.6861 8.76347 5.58312 8.6759 13.5196 10.8173 8.88126 9.38971 14.4279 numMergedOcc 0
33 mol 276 unq 1 iso 0 dist 9.05218 11.6861 8.76347 5.58312 8.6759 13.5196 13.7797 5.50479 8.71541 14.151 numMergedOcc 0
