0 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 5.23547 6.859 4.10106 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.19544 5.69927 5.89412 5.61111 6.23015 6.91314 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 5.19544 7.63656 7.07399 5.61111 6.23015 5.49251 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.27369 10.2609 6.46104 5.23054 6.07276 5.56139 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.27369 8.18809 7.36856 5.23054 6.07276 7.73394 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 7.4999 7.58739 11.3019 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 4.99692 9.01564 9.87158 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 5.84625 5.40367 8.80614 3.70586 7.11065 5.86526 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 6.94677 8.42799 9.25641 5.63031 8.60069 8.89519 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 5.51406 10.2967 9.30539 6.44712 8.77355 12.6799 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.66068 16.3524 8.8822 8.60362 9.30645 13.9729 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.34823 5.3154 6.73586 5.92411 8.67537 4.39676 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.86988 7.59962 7.58957 4.45029 6.34626 6.28232 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.04845 14.5617 6.16242 5.68827 8.83732 13.0405 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.04845 13.7612 5.87634 5.68827 8.83732 13.7612 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 7.94325 11.4104 6.16242 10.124 8.83732 13.0405 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 7.94325 12.9605 5.87634 10.124 8.83732 13.7612 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 6.72323 10.2385 6.16242 11.5628 8.83732 13.0405 numMergedOcc 0
18 mol 133 unq 5 iso 0 dist 6.72323 4.64588 5.87634 11.5628 8.83732 13.7612 numMergedOcc 0
19 mol 135 unq 0 iso 0 dist 5.43728 8.13139 5.62052 5.46698 7.28318 8.50814 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 5.43728 5.88534 7.85645 5.46698 7.28318 3.95636 numMergedOcc 0
21 mol 170 unq 0 iso 0 dist 9.53158 8.89464 9.10511 10.2179 6.47164 4.12764 numMergedOcc 0
22 mol 170 unq 1 iso 0 dist 9.53158 7.71028 6.35982 10.2179 6.47164 4.78249 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 6.21194 9.22906 9.61462 9.12839 7.47964 7.5383 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 7.62237 9.88897 6.28125 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.07527 9.32503 5.9176 9.00952 8.12266 10.6474 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 9.07527 9.32503 5.9176 8.32063 9.43306 5.12833 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 9.07527 9.32503 5.9176 7.88733 8.59681 4.61184 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 8.95598 4.41193 6.42735 6.60692 7.81263 4.08775 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 8.80931 5.90604 7.36683 3.7157 6.22742 5.41635 numMergedOcc 0
30 mol 195 unq 1 iso 0 dist 8.80931 8.97729 9.26504 3.7157 6.22742 6.04871 numMergedOcc 0
31 mol 206 unq 0 iso 0 dist 8.15381 5.70669 8.07687 6.98142 8.24419 10.6496 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 5.89818 4.82768 7.67576 4.91709 8.43195 6.84862 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 5.89818 4.82768 7.67576 5.96186 8.23406 9.53117 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 6.54593 6.59036 5.42461 numMergedOcc 0
35 mol 244 unq 0 iso 0 dist 8.08939 11.6777 5.50492 10.7011 6.53416 6.1597 numMergedOcc 0
36 mol 244 unq 1 iso 0 dist 7.33574 7.45211 5.50492 7.2524 6.53416 6.1597 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 3.80794 7.85836 4.24707 numMergedOcc 0
38 mol 273 unq 1 iso 0 dist 6.38341 5.75973 8.83865 5.19474 6.35532 8.56043 numMergedOcc 0
39 mol 273 unq 2 iso 0 dist 6.38341 9.40198 9.18157 3.80794 7.85836 6.65672 numMergedOcc 0
40 mol 273 unq 3 iso 0 dist 6.38341 9.40198 9.18157 5.19474 6.35532 8.81454 numMergedOcc 0
41 mol 292 unq 0 iso 0 dist 6.60049 6.94727 9.88863 7.45665 8.6233 5.94 numMergedOcc 0
