0 mol 11 unq 0 iso 0 dist 5.7435 11.1513 9.53002 13.4066 10.7048 4.79838 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.88695 6.66387 9.16962 11.1296 15.962 7.84204 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 9.59244 4.07863 6.23899 4.90216 11.6713 7.92479 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 9.59244 4.07863 6.23899 9.84217 3.88148 7.86646 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.2377 12.6436 5.64598 10.0651 3.85805 7.78587 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.18305 4.31731 4.65521 10.869 5.17781 7.78587 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 6.95595 8.91765 5.15851 11.2061 4.74027 7.30467 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.4551 13.2281 9.49449 6.46582 3.69293 8.90522 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.44078 9.76996 8.39016 10.177 4.79453 6.18681 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 9.44078 9.76996 8.39016 15.1616 7.5298 9.33288 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 5.9179 4.97513 8.39016 6.10053 4.79453 6.18681 numMergedOcc 0
11 mol 90 unq 3 iso 0 dist 5.9179 4.97513 8.39016 10.6805 7.5298 9.33288 numMergedOcc 0
12 mol 90 unq 4 iso 0 dist 9.34782 4.97513 6.99355 6.10053 6.34112 6.18681 numMergedOcc 0
13 mol 90 unq 5 iso 0 dist 9.34782 4.97513 6.99355 10.6805 4.87139 9.33288 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.69069 4.41983 8.67367 11.8578 12.6805 9.51981 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 9.44713 9.39191 8.68821 13.9615 10.5728 9.26486 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.42513 10.2034 9.81878 13.884 12.7606 7.79077 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 7.30954 4.20839 8.61331 7.26558 6.40668 9.67312 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 8.5119 11.711 7.17547 20.2276 14.5747 8.5244 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.16386 3.90017 7.61951 9.19289 4.86965 9.43419 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.70279 6.17401 7.07392 9.67243 4.14873 8.49913 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 7.86368 16.9465 9.5707 19.2408 12.7879 5.69634 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 7.86368 15.442 7.85175 19.2408 12.7879 7.91374 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 8.48065 5.52698 8.21247 8.1174 4.75609 9.11149 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 7.67598 9.40096 5.24676 13.3942 6.73995 5.85613 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 12.7634 9.53031 9.28024 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.42725 7.53102 6.77938 9.9749 5.96249 8.22608 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 6.42725 7.53102 6.77938 6.69951 5.97386 5.23503 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 6.42725 6.58569 7.76676 6.69951 5.97386 9.61028 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 8.43858 15.8008 9.5784 18.2223 11.147 8.56867 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 8.43858 15.8008 9.5784 17.6227 10.0018 6.29872 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 9.772 5.55314 6.34034 5.8898 7.71667 8.03604 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 8.59986 10.0609 9.02188 11.7898 7.84345 9.50158 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 6.55855 5.95459 9.19234 9.82713 4.60007 9.85661 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.29635 13.8592 9.41725 5.11998 7.75371 9.62597 numMergedOcc 0
