0 mol 18 unq 0 iso 0 dist 5.65084 7.04695 5.04478 15.3722 11.0746 8.80193 14.8965 10.6819 9.35863 3.84273 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 13.6548 5.29055 6.15893 14.8894 9.56136 6.79475 6.64374 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.12845 14.1424 9.06516 10.3756 4.76998 5.497 14.8894 9.56136 6.79475 5.39199 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.18022 5.32981 7.79336 10.7798 7.68459 8.90835 13.6509 13.1232 8.38156 10.4006 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 7.18022 5.32981 7.79336 10.7798 7.68459 8.90835 6.24711 3.39994 7.08559 5.70782 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 6.24711 5.32981 7.08559 10.7798 5.70782 8.90835 13.6509 12.7516 8.38156 10.4006 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 6.24711 5.32981 7.08559 10.7798 5.70782 8.90835 7.18022 3.39994 7.79336 7.68459 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.3733 10.331 8.96498 11.6703 5.26394 9.0008 17.7629 15.3956 7.5228 14.1568 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.10496 8.70415 6.61111 6.7117 3.94967 6.0129 9.81956 6.70343 4.44979 3.92737 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 9.64383 12.0058 4.44979 12.5931 3.92737 6.0129 14.0897 6.70343 6.61111 3.94967 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 5.92242 9.74284 6.61111 9.42961 3.94967 6.0129 10.8223 6.70343 4.44979 3.92737 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 7.54889 10.0962 4.44979 4.47349 3.92737 6.0129 5.2571 6.70343 6.61111 3.94967 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 5.2571 10.0962 6.61111 4.47349 3.94967 6.0129 7.54889 6.70343 4.44979 3.92737 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 7.78931 11.2452 4.44979 5.65185 3.92737 6.0129 8.7497 6.70343 6.61111 3.94967 numMergedOcc 0
14 mol 98 unq 6 iso 0 dist 8.7497 11.2452 6.61111 5.65185 3.94967 6.0129 7.78931 6.70343 4.44979 3.92737 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.95212 16.7975 9.08536 22.9076 14.9264 7.26955 20.5378 12.7135 6.55202 10.3622 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 6.99446 7.36192 9.08536 14.2293 14.9264 7.26955 11.2897 12.7135 6.55202 10.3622 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 7.64052 10.6679 9.08536 17.9198 14.9264 7.26955 12.31 12.7135 6.55202 10.3622 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.10524 14.0644 5.73203 12.5366 4.07076 6.21403 10.6728 4.87973 6.57379 6.32315 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 6.42772 5.31077 6.44575 12.1214 11.5269 8.55616 9.70973 5.83782 7.43401 6.93712 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 9.33094 5.3585 7.43401 6.23142 6.93712 8.55616 11.0808 5.83782 6.44575 11.5269 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 9.1998 6.74887 6.44575 9.94764 11.5269 8.55616 8.69531 5.83782 7.43401 6.93712 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 8.69531 6.74887 7.43401 9.94764 6.93712 8.55616 9.1998 5.83782 6.44575 11.5269 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 5.35237 8.96357 6.57379 11.2661 6.32315 6.21403 9.69086 4.87973 5.73203 4.07076 numMergedOcc 0
24 mol 134 unq 6 iso 0 dist 8.70621 10.9715 6.44575 15.049 11.5269 8.55616 10.3432 5.83782 7.43401 6.93712 numMergedOcc 0
25 mol 134 unq 7 iso 0 dist 9.00918 5.9915 5.73203 11.2937 4.07076 6.21403 7.99477 4.87973 6.57379 6.32315 numMergedOcc 0
26 mol 134 unq 8 iso 0 dist 7.99477 5.9915 6.57379 11.2937 6.32315 6.21403 9.00918 4.87973 5.73203 4.07076 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 7.36975 5.44503 8.18023 9.14266 13.1214 9.30424 5.40637 10.1474 7.46803 4.06908 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 5.40637 5.44503 7.46803 9.14266 4.06908 9.30424 7.36975 10.1474 8.18023 13.1214 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 6.84752 7.69326 7.30954 11.6896 5.95858 7.80054 10.5499 6.81449 9.1326 5.43662 numMergedOcc 0
30 mol 167 unq 1 iso 0 dist 7.86563 9.46955 7.30954 12.8466 5.95858 7.80054 14.1851 6.81449 9.1326 5.43662 numMergedOcc 0
31 mol 167 unq 2 iso 0 dist 7.20495 6.36909 9.1326 9.67741 5.43662 7.80054 7.02548 6.81449 7.30954 5.95858 numMergedOcc 0
32 mol 167 unq 3 iso 0 dist 7.02548 6.36909 7.30954 9.67741 5.95858 7.80054 7.20495 6.81449 9.1326 5.43662 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 6.64173 6.7991 9.09234 5.94469 4.98436 7.05653 9.01624 11.196 6.76746 11.9796 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 6.64173 6.7991 9.09234 5.94469 4.98436 7.05653 9.55105 10.1041 8.92098 12.3589 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 9.01624 6.7991 6.76746 5.94469 11.9796 7.05653 6.64173 11.196 9.09234 4.98436 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 9.01624 6.7991 6.76746 5.94469 11.9796 7.05653 9.55105 3.55187 8.92098 12.3589 numMergedOcc 0
37 mol 181 unq 4 iso 0 dist 9.55105 6.7991 8.92098 5.94469 12.3589 7.05653 6.64173 10.1041 9.09234 4.98436 numMergedOcc 0
38 mol 181 unq 5 iso 0 dist 9.55105 6.7991 8.92098 5.94469 12.3589 7.05653 9.01624 3.55187 6.76746 11.9796 numMergedOcc 0
39 mol 181 unq 6 iso 0 dist 5.05973 8.35755 6.76746 14.8638 11.9796 7.05653 15.3823 11.196 9.09234 4.98436 numMergedOcc 0
40 mol 181 unq 7 iso 0 dist 5.05973 8.35755 6.76746 14.8638 11.9796 7.05653 8.40951 3.55187 8.92098 12.3589 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 5.85442 5.79468 6.23661 7.08526 4.47425 8.71497 11.7465 8.0048 8.84648 7.57379 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 8.03219 5.31048 8.84648 10.4552 7.57379 8.71497 6.9899 8.0048 6.23661 4.47425 numMergedOcc 0
43 mol 259 unq 2 iso 0 dist 6.9899 5.31048 6.23661 10.4552 4.47425 8.71497 8.03219 8.0048 8.84648 7.57379 numMergedOcc 0
44 mol 267 unq 0 iso 0 dist 8.8293 7.11419 5.08174 13.8725 5.68457 9.01354 9.33497 11.3792 6.32877 14.8427 numMergedOcc 0
45 mol 267 unq 1 iso 0 dist 8.8293 7.11419 5.08174 13.8725 5.68457 9.01354 14.4164 13.5886 9.48115 16.1143 numMergedOcc 0
46 mol 267 unq 2 iso 0 dist 8.8293 7.11419 5.08174 13.8725 5.68457 9.01354 15.0638 7.9327 8.38545 5.32312 numMergedOcc 0
47 mol 267 unq 3 iso 0 dist 8.8293 7.11419 5.08174 13.8725 5.68457 9.01354 11.5802 3.51278 6.10838 5.41564 numMergedOcc 0
48 mol 267 unq 4 iso 0 dist 7.34981 6.45566 5.08174 10.2761 5.68457 9.01354 10.3168 11.3792 6.32877 14.8427 numMergedOcc 0
49 mol 267 unq 5 iso 0 dist 7.34981 6.45566 5.08174 10.2761 5.68457 9.01354 15.2499 13.5886 9.48115 16.1143 numMergedOcc 0
50 mol 267 unq 6 iso 0 dist 7.34981 6.45566 5.08174 10.2761 5.68457 9.01354 11.8835 7.9327 8.38545 5.32312 numMergedOcc 0
51 mol 267 unq 7 iso 0 dist 7.34981 6.45566 5.08174 10.2761 5.68457 9.01354 10.316 3.51278 6.10838 5.41564 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 9.74118 5.98906 6.1905 9.88863 3.92782 5.7131 11.3379 4.99426 5.84792 5.93687 numMergedOcc 0
53 mol 292 unq 1 iso 0 dist 9.74118 5.98906 6.1905 9.88863 3.92782 5.7131 14.1177 8.21724 8.73515 9.40023 numMergedOcc 0
54 mol 292 unq 2 iso 0 dist 9.46442 12.1551 5.84792 14.0184 5.93687 5.7131 14.4052 4.99426 6.1905 3.92782 numMergedOcc 0
55 mol 292 unq 3 iso 0 dist 9.46442 12.1551 5.84792 14.0184 5.93687 5.7131 7.30758 3.57128 8.73515 9.40023 numMergedOcc 0
56 mol 292 unq 4 iso 0 dist 9.9182 18.0293 8.73515 19.2773 9.40023 5.7131 17.5894 8.21724 6.1905 3.92782 numMergedOcc 0
57 mol 292 unq 5 iso 0 dist 9.9182 18.0293 8.73515 19.2773 9.40023 5.7131 13.4489 3.57128 5.84792 5.93687 numMergedOcc 0
58 mol 292 unq 6 iso 0 dist 7.30758 12.1551 8.73515 14.0184 9.40023 5.7131 14.4052 8.21724 6.1905 3.92782 numMergedOcc 0
59 mol 292 unq 7 iso 0 dist 7.30758 12.1551 8.73515 14.0184 9.40023 5.7131 9.46442 3.57128 5.84792 5.93687 numMergedOcc 0
60 mol 292 unq 8 iso 0 dist 9.10788 10.8709 8.73515 14.6101 9.40023 5.7131 12.0935 8.21724 6.1905 3.92782 numMergedOcc 0
61 mol 292 unq 9 iso 0 dist 9.10788 10.8709 8.73515 14.6101 9.40023 5.7131 9.96037 3.57128 5.84792 5.93687 numMergedOcc 0
