0 mol 18 unq 0 iso 0 dist 6.39307 4.25207 5.65084 4.49033 5.04478 7.04695 12.7898 11.0746 15.3722 8.80193 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.90986 14.3129 9.12845 6.77783 9.06516 14.1424 8.99751 5.29055 13.6548 6.15893 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.90986 14.3129 9.12845 6.77783 9.06516 14.1424 9.44507 4.76998 10.3756 5.497 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.81143 9.84195 7.18022 14.4774 7.79336 5.32981 15.0961 7.68459 10.7798 8.90835 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 9.78839 9.84195 6.24711 14.4774 7.08559 5.32981 15.0961 5.70782 10.7798 8.90835 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.69574 5.68664 5.94756 6.13812 5.81001 7.39653 10.7145 4.06745 9.49841 5.55096 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.33961 11.1668 9.64383 4.45424 4.44979 12.0058 8.55509 3.92737 12.5931 6.0129 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.33961 12.7318 7.54889 4.45424 4.44979 10.0962 8.55509 3.92737 4.47349 6.0129 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.33961 12.3835 7.78931 4.45424 4.44979 11.2452 8.55509 3.92737 5.65185 6.0129 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 8.3505 4.75138 5.10496 12.8333 6.61111 8.70415 10.9995 3.94967 6.7117 6.0129 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 8.3505 10.4417 5.92242 12.8333 6.61111 9.74284 10.9995 3.94967 9.42961 6.0129 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 8.3505 11.3628 5.2571 12.8333 6.61111 10.0962 10.9995 3.94967 4.47349 6.0129 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 8.3505 13.9599 8.7497 12.8333 6.61111 11.2452 10.9995 3.94967 5.65185 6.0129 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 9.29816 5.70962 9.64383 9.31771 4.44979 12.0058 12.4401 3.92737 12.5931 6.0129 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 9.29816 14.676 7.54889 9.31771 4.44979 10.0962 12.4401 3.92737 4.47349 6.0129 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 9.29816 16.3389 7.78931 9.31771 4.44979 11.2452 12.4401 3.92737 5.65185 6.0129 numMergedOcc 0
16 mol 98 unq 10 iso 0 dist 5.08983 10.1978 9.64383 9.47873 4.44979 12.0058 5.94696 3.92737 12.5931 6.0129 numMergedOcc 0
17 mol 98 unq 11 iso 0 dist 5.08983 7.1452 7.54889 9.47873 4.44979 10.0962 5.94696 3.92737 4.47349 6.0129 numMergedOcc 0
18 mol 98 unq 12 iso 0 dist 5.08983 4.96747 7.78931 9.47873 4.44979 11.2452 5.94696 3.92737 5.65185 6.0129 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 8.42219 5.24961 6.39384 10.3316 8.0168 10.7942 10.2513 10.3264 13.3009 7.70313 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 8.42219 11.8122 9.42082 10.3316 8.0168 10.9739 10.2513 10.3264 17.0848 7.70313 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 11.5532 7.43401 5.3585 11.9876 6.93712 6.23142 8.55616 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.78303 6.36794 8.69531 11.5532 7.43401 6.74887 11.9876 6.93712 9.94764 8.55616 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 6.48993 6.64464 6.84752 4.0737 7.30954 7.69326 9.14629 5.95858 11.6896 7.80054 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 6.48993 5.70785 7.86563 4.0737 7.30954 9.46955 9.14629 5.95858 12.8466 7.80054 numMergedOcc 0
25 mol 167 unq 2 iso 0 dist 6.48993 7.91498 7.02548 4.0737 7.30954 6.36909 9.14629 5.95858 9.67741 7.80054 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 7.30338 12.1014 6.02086 6.39941 7.06851 8.67522 8.90876 4.02702 7.44629 7.60254 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 4.09442 6.23661 5.79468 8.90398 4.47425 7.08526 8.71497 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 4.09442 6.23661 5.31048 8.90398 4.47425 10.4552 8.71497 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 4.97796 4.56913 6.4611 5.95459 6.66172 5.31116 6.83113 5.39432 10.5387 9.20749 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 7.59142 11.6042 6.35028 6.7711 6.0283 7.69081 13.1175 9.85432 13.337 9.24367 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 7.78796 6.94727 9.74118 7.69175 6.1905 5.98906 6.60049 3.92782 9.88863 5.7131 numMergedOcc 0
