0 mol 42 unq 0 iso 0 dist 8.27463 8.67238 7.44829 6.73436 8.08117 13.006 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 9.37288 5.75558 6.56768 6.01116 5.75761 6.55558 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.58843 11.73 9.75003 10.3508 7.56581 16.7397 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 7.58843 11.73 9.75003 14.0756 9.22021 17.2265 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 7.58843 14.0704 6.95846 10.3508 7.56581 11.9881 numMergedOcc 0
5 mol 54 unq 3 iso 0 dist 7.58843 14.0704 6.95846 14.0756 9.22021 10.3564 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 4.76545 7.84363 7.86924 4.94224 7.13406 7.38915 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 8.1416 15.9593 9.48548 4.67713 8.31314 13.3187 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.78695 5.48438 6.99723 10.7122 5.72373 9.75166 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 9.78695 5.48438 6.99723 13.0671 7.20988 12.9471 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.06319 12.9184 7.59434 12.9417 6.95549 5.96451 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 9.06319 8.46449 8.09125 12.9417 6.95549 13.2027 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 7.23012 4.56997 8.65631 12.0164 7.61316 12.8467 numMergedOcc 0
13 mol 245 unq 0 iso 0 dist 6.69861 6.96207 7.21119 4.7604 8.49651 10.8672 numMergedOcc 0
14 mol 248 unq 0 iso 0 dist 7.16203 4.73406 6.43336 10.6802 9.12664 10.9137 numMergedOcc 0
15 mol 248 unq 1 iso 0 dist 7.16203 4.73406 6.43336 5.45614 6.51383 5.35181 numMergedOcc 0
