0 mol 11 unq 0 iso 0 dist 9.52695 9.07476 6.76736 5.23547 6.859 9.89425 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.19544 5.70754 5.69755 5.61111 6.23015 10.3229 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.07989 8.18214 3.99506 6.4113 7.98985 5.64092 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.59552 6.04223 6.882 5.92795 6.59716 9.68283 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 5.59552 6.04223 6.882 10.2656 6.87506 12.3442 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 7.4518 5.10693 4.34681 3.91263 7.28831 6.67678 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.4518 6.58814 5.73248 3.91263 7.28831 7.24956 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 7.4518 6.13459 13.5809 3.91263 7.28831 8.28591 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 7.4518 7.54391 14.149 3.91263 7.28831 9.40687 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 9.1687 5.10693 9.11796 3.91263 9.71411 6.67678 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 9.1687 6.58814 7.24672 3.91263 9.71411 7.24956 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 9.1687 6.13459 10.6039 3.91263 9.71411 8.28591 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 9.1687 7.54391 6.48338 3.91263 9.71411 9.40687 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 8.23777 9.60648 10.2723 3.82552 5.36587 9.66492 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.66068 7.96893 6.29259 8.60362 9.30645 8.67025 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 6.03154 8.46801 6.30769 5.94952 9.59437 13.1048 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.72323 8.52036 12.7291 11.5628 8.83732 11.0561 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 5.60184 6.12278 4.03185 5.18463 8.71789 9.92057 numMergedOcc 0
18 mol 154 unq 1 iso 0 dist 7.08477 6.12278 9.94519 5.18463 5.2693 9.92057 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 5.51388 7.33643 3.83687 14.6592 9.15283 9.06172 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 8.17917 7.78577 7.83748 13.7799 9.15283 10.343 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 8.95598 9.10344 5.69882 6.60692 7.81263 7.25623 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 8.03512 8.76748 9.87573 3.86206 9.32959 6.68939 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 5.89818 4.90656 3.98604 4.91709 8.43195 8.88902 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 5.89818 4.90656 3.98604 5.96186 8.23406 9.83916 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 7.83422 9.67243 12.3471 6.54593 6.59036 13.577 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 5.68717 7.88108 3.60349 9.0549 6.75725 8.51564 numMergedOcc 0
27 mol 260 unq 1 iso 0 dist 5.68717 7.88108 3.60349 6.73886 9.31888 11.5762 numMergedOcc 0
28 mol 260 unq 2 iso 0 dist 5.68717 9.46576 7.28821 9.0549 6.75725 11.8771 numMergedOcc 0
29 mol 260 unq 3 iso 0 dist 5.68717 9.46576 7.28821 6.73886 9.31888 7.49606 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 6.81257 9.93392 6.89604 3.86293 9.03998 9.67239 numMergedOcc 0
