0 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 13.3639 6.72502 6.58998 10.5945 8.09311 11.6226 9.94429 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 13.3639 6.72502 6.58998 17.5782 9.05357 13.1949 6.88355 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.90845 9.89489 8.38394 13.3639 6.72502 6.59374 10.5945 8.09311 6.17155 9.94429 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.90845 9.89489 8.38394 13.3639 6.72502 6.59374 17.5782 9.05357 10.3122 6.88355 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 13.5596 8.64015 11.0904 11.1377 6.56212 7.31539 4.88345 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 6.48625 5.30842 9.21998 13.5596 8.64015 12.9211 11.1377 6.56212 11.1607 4.88345 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 6.27749 5.63638 8.90863 11.7103 8.82176 13.0114 4.44758 9.95132 8.27828 12.9345 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 6.27749 5.63638 8.90863 11.7103 8.82176 13.0114 7.32774 7.48086 7.80499 5.71764 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 16.5854 8.56342 4.91132 16.57 7.64052 9.68677 6.29394 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 9.58167 6.37542 6.08167 16.57 7.64052 9.68677 9.64502 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 9.05212 9.17106 12.6057 9.23267 7.81207 4.67662 9.38687 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 7.57458 13.1936 9.2313 9.05212 9.17106 12.6057 13.4776 7.18002 13.5913 11.093 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 7.57458 12.288 7.73169 9.05212 9.17106 8.38032 9.23267 7.81207 5.81599 9.38687 numMergedOcc 0
13 mol 142 unq 3 iso 0 dist 7.57458 12.288 7.73169 9.05212 9.17106 8.38032 13.4776 7.18002 9.99555 11.093 numMergedOcc 0
14 mol 142 unq 4 iso 0 dist 7.57458 14.2067 8.96657 9.05212 9.17106 8.16815 9.23267 7.81207 11.1 9.38687 numMergedOcc 0
15 mol 142 unq 5 iso 0 dist 7.57458 14.2067 8.96657 9.05212 9.17106 8.16815 13.4776 7.18002 6.52253 11.093 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 10.4193 9.77552 9.35627 9.0696 6.59889 5.39112 4.71678 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 8.89982 13.2491 8.56324 10.4193 9.77552 9.35627 9.83062 8.9192 4.84714 7.11377 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 11.9192 5.4969 12.3408 14.8552 9.63417 11.0361 9.37652 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.00898 5.96451 9.29945 11.0956 6.4318 8.68081 14.8552 9.63417 11.0361 4.52999 numMergedOcc 0
20 mol 175 unq 2 iso 0 dist 9.00898 5.96451 9.29945 15.1521 7.35824 12.5754 14.8552 9.63417 11.0361 5.68406 numMergedOcc 0
21 mol 175 unq 3 iso 0 dist 9.00898 5.96451 9.29945 13.624 9.17364 10.0424 14.8552 9.63417 11.0361 9.31641 numMergedOcc 0
22 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 5.49143 4.92088 10.1489 9.80877 9.11204 8.44333 7.79894 numMergedOcc 0
23 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 5.49143 4.92088 8.27339 9.80877 9.11204 6.8202 7.79894 numMergedOcc 0
24 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 5.49143 4.92088 9.79302 9.80877 9.11204 14.9499 7.79894 numMergedOcc 0
25 mol 178 unq 3 iso 0 dist 8.0974 13.5599 8.81551 5.49143 4.92088 8.65097 9.80877 9.11204 14.2467 7.79894 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 5.20422 6.38157 7.38025 4.112 7.46481 11.4955 5.73082 numMergedOcc 0
27 mol 214 unq 1 iso 0 dist 8.49704 11.832 7.14453 5.20422 6.38157 9.35273 4.112 7.46481 8.459 5.73082 numMergedOcc 0
28 mol 214 unq 2 iso 0 dist 8.49704 10.644 8.85478 5.20422 6.38157 5.63388 4.112 7.46481 11.1534 5.73082 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 11.5459 8.48341 6.03524 15.1289 6.74196 8.84507 9.0716 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 8.7347 8.81265 6.00706 11.5459 8.48341 6.03524 13.6078 8.36842 6.02502 10.5383 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 8.7347 8.81265 6.00706 11.5459 8.48341 6.03524 13.6261 9.75472 5.18677 8.90753 numMergedOcc 0
32 mol 222 unq 3 iso 0 dist 8.7347 4.28891 7.54212 11.5459 8.48341 7.60395 15.1289 6.74196 12.8595 9.0716 numMergedOcc 0
33 mol 222 unq 4 iso 0 dist 8.7347 4.28891 7.54212 11.5459 8.48341 7.60395 13.6078 8.36842 12.5866 10.5383 numMergedOcc 0
34 mol 222 unq 5 iso 0 dist 8.7347 4.28891 7.54212 11.5459 8.48341 7.60395 13.6261 9.75472 11.9567 8.90753 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 9.31417 6.62361 5.72887 16.0652 7.32982 12.3808 13.338 9.72188 7.06793 13.0611 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 5.56719 5.96552 5.72887 11.468 7.32982 12.3808 12.046 9.72188 7.06793 13.0611 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 13.6686 8.55558 5.60748 7.06301 5.85442 10.067 7.32929 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 7.93997 14.8465 7.46176 13.6686 8.55558 5.60748 7.80863 6.95511 11.6988 9.55426 numMergedOcc 0
