0 mol 43 unq 0 iso 0 dist 7.75667 8.8955 8.03914 15.1614 12.1132 6.66407 10.007 7.70908 9.50614 11.4153 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.75667 8.8955 8.03914 15.1614 12.1132 6.66407 16.0425 15.2015 8.34145 4.96926 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.33754 7.45484 9.31516 14.6159 14.9509 7.28228 12.1005 10.8961 5.40489 5.46827 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.36178 10.0381 7.91605 9.15467 6.71593 5.5087 10.2763 4.19129 8.46627 6.41115 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.36178 10.0381 7.91605 10.4035 5.72472 5.61588 10.2763 4.19129 8.46627 5.9144 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.36178 5.09707 6.43707 9.15467 6.71593 6.08682 10.2763 4.19129 9.22208 6.41115 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 6.36178 5.09707 6.43707 10.4035 5.72472 7.83244 10.2763 4.19129 9.22208 5.9144 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.77869 13.5522 9.95076 15.3517 8.35998 7.37333 13.7027 5.09521 9.43904 5.65603 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 8.77869 12.6287 7.76112 15.3517 8.35998 7.45998 13.7027 5.09521 7.01095 5.65603 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.71223 3.6848 9.82338 8.96988 9.653 8.90571 6.26168 9.33116 8.5672 5.75483 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 9.71223 3.6848 9.82338 9.44405 10.568 6.61112 6.26168 9.33116 8.5672 10.8286 numMergedOcc 0
11 mol 207 unq 0 iso 0 dist 9.05505 6.29106 8.72885 10.0544 6.93784 5.12567 6.50724 5.08264 4.76113 4.56899 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 6.74371 7.07952 5.07975 11.3549 5.66819 5.56538 8.73188 6.84149 8.14294 8.34852 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 6.74371 4.6646 4.85015 11.3549 5.66819 7.48954 8.73188 6.84149 5.72 8.34852 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 6.44932 4.46929 8.31344 10.3464 15.2767 8.19317 10.3757 13.0354 6.03081 9.72447 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 6.44932 4.46929 8.31344 10.3464 15.2767 8.19317 10.9793 10.4953 7.41433 12.983 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 6.44932 4.46929 8.31344 9.4144 11.9322 5.1823 10.3757 13.0354 6.03081 4.21867 numMergedOcc 0
17 mol 235 unq 3 iso 0 dist 6.44932 4.46929 8.31344 9.4144 11.9322 5.1823 10.9793 10.4953 7.41433 5.88852 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 9.19579 6.76489 8.07313 12.6762 5.14134 8.69318 10.4087 8.17555 8.30024 10.2068 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 9.19579 6.76489 8.07313 12.6762 5.14134 8.69318 13.0938 7.40657 8.20943 5.74165 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 8.78928 13.255 5.63226 16.1263 9.45651 6.31969 11.7289 5.35498 9.02537 10.2693 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 8.92332 12.7808 6.79765 18.4389 9.91235 9.74118 15.0858 6.37045 6.22943 5.94 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 8.92332 12.7808 6.79765 18.4389 9.91235 9.74118 20.0724 11.9688 9.31056 9.18492 numMergedOcc 0
23 mol 292 unq 2 iso 0 dist 8.92332 9.55943 6.13272 10.9895 12.9146 9.46442 15.0858 6.37045 9.23612 17.5073 numMergedOcc 0
