0 mol 45 unq 0 iso 0 dist 7.97558 12.0234 9.62637 17.8269 13.4503 6.99408 16.1921 10.6148 9.3403 6.11102 numMergedOcc 0
1 mol 45 unq 0 iso 1 dist 7.97558 12.0234 9.62637 16.1921 10.6148 9.3403 17.8269 13.4503 6.99408 6.11102 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.88172 15.7855 9.11258 15.9015 10.2049 8.63333 10.671 5.49591 8.89374 5.35073 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 7.88172 15.7855 9.11258 10.671 5.49591 8.89374 15.9015 10.2049 8.63333 5.35073 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.88172 15.7855 9.11258 15.9015 10.2049 8.63333 13.4086 5.85698 6.46761 10.8153 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 7.88172 15.7855 9.11258 13.4086 5.85698 6.46761 15.9015 10.2049 8.63333 10.8153 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 7.88172 15.7855 9.11258 15.9015 10.2049 8.63333 19.6846 12.2123 9.73139 14.5953 numMergedOcc 0
7 mol 58 unq 2 iso 1 dist 7.88172 15.7855 9.11258 19.6846 12.2123 9.73139 15.9015 10.2049 8.63333 14.5953 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.88172 15.7855 9.11258 10.671 5.49591 8.89374 13.4086 5.85698 6.46761 8.62958 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 7.88172 15.7855 9.11258 13.4086 5.85698 6.46761 10.671 5.49591 8.89374 8.62958 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.88172 15.7855 9.11258 10.671 5.49591 8.89374 19.6846 12.2123 9.73139 14.176 numMergedOcc 0
11 mol 58 unq 2 iso 1 dist 7.88172 15.7855 9.11258 19.6846 12.2123 9.73139 10.671 5.49591 8.89374 14.176 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 7.88172 15.7855 9.11258 13.4086 5.85698 6.46761 19.6846 12.2123 9.73139 6.47414 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 7.88172 15.7855 9.11258 19.6846 12.2123 9.73139 13.4086 5.85698 6.46761 6.47414 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.91141 11.5311 7.10439 10.1845 5.11416 8.70133 14.7758 8.44406 5.64598 7.4697 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 6.91141 11.5311 7.10439 14.7758 8.44406 5.64598 10.1845 5.11416 8.70133 7.4697 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.91141 11.5311 7.10439 10.1845 5.11416 8.70133 10.8928 6.56633 4.65521 5.4148 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 6.91141 11.5311 7.10439 10.8928 6.56633 4.65521 10.1845 5.11416 8.70133 5.4148 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 6.91141 11.5311 7.10439 14.7758 8.44406 5.64598 10.8928 6.56633 4.65521 5.7113 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 6.91141 11.5311 7.10439 10.8928 6.56633 4.65521 14.7758 8.44406 5.64598 5.7113 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 7.2131 5.02124 7.1539 9.514 8.55834 5.81965 7.84888 8.51055 7.06013 5.02055 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 7.2131 5.02124 7.1539 7.84888 8.51055 7.06013 9.514 8.55834 5.81965 5.02055 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 7.2131 5.02124 7.1539 9.514 8.55834 5.81965 13.0248 7.76866 9.70512 8.95922 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 7.2131 5.02124 7.1539 13.0248 7.76866 9.70512 9.514 8.55834 5.81965 8.95922 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 7.2131 5.02124 7.1539 7.84888 8.51055 7.06013 13.0248 7.76866 9.70512 12.4494 numMergedOcc 0
25 mol 92 unq 1 iso 1 dist 7.2131 5.02124 7.1539 13.0248 7.76866 9.70512 7.84888 8.51055 7.06013 12.4494 numMergedOcc 0
26 mol 92 unq 2 iso 0 dist 7.44343 5.02124 5.39745 9.514 9.50382 5.81965 7.84888 11.3858 7.06013 5.02055 numMergedOcc 0
27 mol 92 unq 2 iso 1 dist 7.44343 5.02124 5.39745 7.84888 11.3858 7.06013 9.514 9.50382 5.81965 5.02055 numMergedOcc 0
28 mol 92 unq 3 iso 0 dist 7.44343 5.02124 5.39745 9.514 9.50382 5.81965 13.0248 7.56363 9.70512 8.95922 numMergedOcc 0
29 mol 92 unq 3 iso 1 dist 7.44343 5.02124 5.39745 13.0248 7.56363 9.70512 9.514 9.50382 5.81965 8.95922 numMergedOcc 0
30 mol 92 unq 3 iso 0 dist 7.44343 5.02124 5.39745 7.84888 11.3858 7.06013 13.0248 7.56363 9.70512 12.4494 numMergedOcc 0
31 mol 92 unq 3 iso 1 dist 7.44343 5.02124 5.39745 13.0248 7.56363 9.70512 7.84888 11.3858 7.06013 12.4494 numMergedOcc 0
32 mol 100 unq 0 iso 0 dist 9.95103 7.59628 7.09065 13.6378 9.36726 9.39469 6.78459 7.16919 4.76815 6.90824 numMergedOcc 0
33 mol 100 unq 0 iso 1 dist 9.95103 7.59628 7.09065 6.78459 7.16919 4.76815 13.6378 9.36726 9.39469 6.90824 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 6.13508 8.00732 7.26955 11.3088 5.92984 7.39889 17.6376 15.5019 9.63176 11.6667 numMergedOcc 0
35 mol 119 unq 0 iso 1 dist 6.13508 8.00732 7.26955 17.6376 15.5019 9.63176 11.3088 5.92984 7.39889 11.6667 numMergedOcc 0
36 mol 119 unq 1 iso 0 dist 6.13508 8.00732 7.26955 11.3088 5.92984 7.39889 10.517 10.314 7.44174 11.3169 numMergedOcc 0
37 mol 119 unq 1 iso 1 dist 6.13508 8.00732 7.26955 10.517 10.314 7.44174 11.3088 5.92984 7.39889 11.3169 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 6.13508 8.00732 7.26955 17.6376 15.5019 9.63176 10.517 10.314 7.44174 12.4603 numMergedOcc 0
39 mol 119 unq 1 iso 1 dist 6.13508 8.00732 7.26955 10.517 10.314 7.44174 17.6376 15.5019 9.63176 12.4603 numMergedOcc 0
40 mol 143 unq 0 iso 0 dist 5.75595 6.50232 6.46089 9.61081 10.0059 7.31468 5.46922 8.57817 7.7056 5.72828 numMergedOcc 0
41 mol 143 unq 0 iso 1 dist 5.75595 6.50232 6.46089 5.46922 8.57817 7.7056 9.61081 10.0059 7.31468 5.72828 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 6.53696 8.65486 6.99693 17.1425 14.7282 9.8589 11.1504 9.30597 7.24908 7.42466 numMergedOcc 0
43 mol 175 unq 0 iso 1 dist 6.53696 8.65486 6.99693 11.1504 9.30597 7.24908 17.1425 14.7282 9.8589 7.42466 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 9.92671 5.30261 7.10413 11.9642 6.2188 7.07392 14.1969 6.09015 9.62952 4.96364 numMergedOcc 0
45 mol 232 unq 0 iso 1 dist 9.92671 5.30261 7.10413 14.1969 6.09015 9.62952 11.9642 6.2188 7.07392 4.96364 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 9.69025 15.1483 8.71497 9.58006 8.81835 7.48005 17.4878 8.75685 8.37865 12.5353 numMergedOcc 0
47 mol 259 unq 0 iso 1 dist 9.69025 15.1483 8.71497 17.4878 8.75685 8.37865 9.58006 8.81835 7.48005 12.5353 numMergedOcc 0
