0 mol 11 unq 0 iso 0 dist 9.09091 8.17605 7.98326 3.66215 9.81983 6.76736 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.09091 12.9594 7.90478 3.66215 9.81983 13.5186 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.50647 6.19131 6.03257 8.47464 6.31608 11.6414 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 9.877 6.31299 7.92012 8.91991 5.16502 6.43075 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.877 6.31299 7.92012 9.59996 8.26398 11.3153 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.22361 7.52321 7.35861 12.6238 9.82851 12.335 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 6.15893 7.26595 7.35861 7.97596 9.82851 12.335 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 5.497 11.553 6.56527 7.97596 9.11311 12.5394 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.34031 8.13678 8.29857 7.13338 6.28603 6.17529 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 7.34031 8.13678 8.29857 8.64653 8.80303 9.78584 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 7.34031 8.13678 8.29857 4.28224 7.11491 11.505 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 7.281 8.24402 8.19993 7.08546 5.73454 6.30002 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 7.281 8.24402 8.19993 8.61607 8.2012 9.72383 numMergedOcc 0
13 mol 48 unq 5 iso 0 dist 7.281 8.24402 8.19993 4.12075 7.1829 11.5388 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 6.30987 6.85072 9.17082 10.2702 5.27979 10.1434 numMergedOcc 0
15 mol 79 unq 0 iso 0 dist 9.63599 6.49291 9.78384 12.7451 7.56495 13.2204 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 9.63599 6.49291 9.78384 13.0682 7.63923 10.8598 numMergedOcc 0
17 mol 79 unq 2 iso 0 dist 9.63599 6.49291 9.78384 6.2688 8.23095 8.81685 numMergedOcc 0
18 mol 79 unq 3 iso 0 dist 9.63599 11.51 8.87742 12.7451 7.56495 6.07693 numMergedOcc 0
19 mol 79 unq 4 iso 0 dist 9.63599 11.51 8.87742 13.0682 7.63923 10.8556 numMergedOcc 0
20 mol 79 unq 5 iso 0 dist 9.63599 11.51 8.87742 6.2688 8.23095 6.94036 numMergedOcc 0
21 mol 79 unq 6 iso 0 dist 9.63599 7.82761 4.93468 12.7451 7.56495 5.25584 numMergedOcc 0
22 mol 79 unq 7 iso 0 dist 9.63599 7.82761 4.93468 13.0682 7.63923 5.79629 numMergedOcc 0
23 mol 79 unq 8 iso 0 dist 9.63599 7.82761 4.93468 6.2688 8.23095 3.90527 numMergedOcc 0
24 mol 79 unq 9 iso 0 dist 7.87237 5.97134 9.26979 8.42733 8.33791 13.333 numMergedOcc 0
25 mol 79 unq 10 iso 0 dist 7.87237 5.97134 9.26979 4.89844 7.38548 10.3746 numMergedOcc 0
26 mol 79 unq 11 iso 0 dist 7.87237 5.97134 9.26979 6.58977 8.2992 8.85563 numMergedOcc 0
27 mol 79 unq 12 iso 0 dist 7.87237 5.97134 9.26979 4.35906 6.72546 4.37918 numMergedOcc 0
28 mol 79 unq 13 iso 0 dist 7.87237 9.00783 9.05679 8.42733 8.33791 12.313 numMergedOcc 0
29 mol 79 unq 14 iso 0 dist 7.87237 9.00783 9.05679 4.89844 7.38548 12.3366 numMergedOcc 0
30 mol 79 unq 15 iso 0 dist 7.87237 9.00783 9.05679 6.58977 8.2992 6.01885 numMergedOcc 0
31 mol 79 unq 16 iso 0 dist 7.87237 9.00783 9.05679 4.35906 6.72546 9.08423 numMergedOcc 0
32 mol 79 unq 17 iso 0 dist 7.87237 4.52595 4.93468 8.42733 8.33791 5.84075 numMergedOcc 0
33 mol 79 unq 18 iso 0 dist 7.87237 4.52595 4.93468 4.89844 7.38548 5.41884 numMergedOcc 0
34 mol 79 unq 19 iso 0 dist 7.87237 4.52595 4.93468 6.58977 8.2992 3.94192 numMergedOcc 0
35 mol 79 unq 20 iso 0 dist 7.87237 4.52595 4.93468 4.35906 6.72546 6.29733 numMergedOcc 0
36 mol 79 unq 21 iso 0 dist 8.01743 6.4154 9.78384 7.82927 7.56495 13.2204 numMergedOcc 0
37 mol 79 unq 22 iso 0 dist 8.01743 6.4154 9.78384 5.01567 7.63923 10.8598 numMergedOcc 0
38 mol 79 unq 23 iso 0 dist 8.01743 6.4154 9.78384 6.34664 8.23095 8.81685 numMergedOcc 0
39 mol 79 unq 24 iso 0 dist 8.01743 11.4135 8.87742 7.82927 7.56495 6.07693 numMergedOcc 0
40 mol 79 unq 25 iso 0 dist 8.01743 11.4135 8.87742 5.01567 7.63923 10.8556 numMergedOcc 0
41 mol 79 unq 26 iso 0 dist 8.01743 11.4135 8.87742 6.34664 8.23095 6.94036 numMergedOcc 0
42 mol 79 unq 27 iso 0 dist 8.01743 4.58851 4.93468 7.82927 7.56495 5.25584 numMergedOcc 0
43 mol 79 unq 28 iso 0 dist 8.01743 4.58851 4.93468 5.01567 7.63923 5.79629 numMergedOcc 0
44 mol 79 unq 29 iso 0 dist 8.01743 4.58851 4.93468 6.34664 8.23095 3.90527 numMergedOcc 0
45 mol 85 unq 0 iso 0 dist 6.05495 13.3263 9.66222 10.803 8.04853 11.3242 numMergedOcc 0
46 mol 85 unq 1 iso 0 dist 6.05495 13.3263 9.66222 7.59464 6.46549 15.4245 numMergedOcc 0
47 mol 119 unq 0 iso 0 dist 7.26955 4.48922 7.20249 3.71283 6.21165 5.77063 numMergedOcc 0
48 mol 141 unq 0 iso 0 dist 4.25566 7.64948 9.83945 9.08526 4.92382 13.8739 numMergedOcc 0
49 mol 141 unq 1 iso 0 dist 6.63171 14.2837 9.83945 8.96466 4.92382 13.8739 numMergedOcc 0
50 mol 141 unq 2 iso 0 dist 7.67273 10.6379 9.83945 11.4814 4.92382 13.8739 numMergedOcc 0
51 mol 141 unq 3 iso 0 dist 7.31037 7.64948 6.75376 8.16657 8.40695 5.59893 numMergedOcc 0
52 mol 141 unq 4 iso 0 dist 7.31037 7.64948 6.75376 11.0792 9.35867 3.89483 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 7.17337 5.12599 9.78181 12.899 9.78273 12.3206 numMergedOcc 0
54 mol 232 unq 1 iso 0 dist 7.17337 16.1253 9.8664 12.899 9.78273 12.159 numMergedOcc 0
55 mol 250 unq 0 iso 0 dist 6.28538 6.40578 9.70149 3.70231 9.25035 4.14699 numMergedOcc 0
56 mol 256 unq 0 iso 0 dist 9.18903 10.4051 6.37963 8.80744 8.08629 3.70808 numMergedOcc 0
57 mol 256 unq 1 iso 0 dist 9.18903 13.9633 6.00636 8.80744 8.08629 10.03 numMergedOcc 0
58 mol 266 unq 0 iso 0 dist 9.71152 9.15303 7.00243 11.7541 7.63543 4.72338 numMergedOcc 0
59 mol 273 unq 0 iso 0 dist 8.68913 13.9948 7.16346 9.83412 9.81919 9.84575 numMergedOcc 0
60 mol 277 unq 0 iso 0 dist 6.43034 6.56697 8.20644 6.50127 6.23115 12.1127 numMergedOcc 0
