0 mol 7 unq 0 iso 0 dist 9.67164 10.515 8.81608 8.72114 5.5683 9.97624 6.34041 10.3333 13.0969 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.99459 6.06176 8.81608 10.3148 5.5683 9.97624 14.7759 10.3333 13.0969 6.14469 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.85174 6.67334 9.51568 6.42748 5.20798 6.50647 10.1154 6.23015 6.19131 6.03257 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.48085 12.1492 8.53931 13.8469 5.38592 6.63839 6.08585 6.53269 6.06874 8.88938 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.49421 4.70708 8.53931 9.01548 5.38592 6.63839 5.77929 6.53269 6.06874 8.88938 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 13.6548 5.29055 6.15893 20.0198 12.3279 7.26595 7.35861 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.12845 14.1424 9.06516 10.3756 4.76998 5.497 6.04762 6.81793 11.553 6.56527 numMergedOcc 0
7 mol 32 unq 0 iso 0 dist 7.26268 6.68431 8.74576 7.99969 6.30042 4.62858 10.8897 13.9483 5.52033 8.5315 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.13108 10.963 9.4866 13.9633 10.1364 7.03226 19.7346 15.2551 9.24521 8.95905 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.76379 5.59971 6.52939 14.2829 9.51372 9.63599 6.79583 7.43127 6.49291 9.78384 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.76379 5.59971 6.52939 14.2829 9.51372 9.63599 16.0481 15.1749 11.51 8.87742 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 9.76379 5.59971 6.52939 14.2829 9.51372 9.63599 11.6062 10.8054 7.82761 4.93468 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.10496 8.70415 6.61111 6.7117 3.94967 6.0129 7.94178 9.84703 10.2677 7.36769 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.10496 8.70415 6.61111 6.7117 3.94967 6.0129 4.4057 4.62494 5.71029 6.88901 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.64383 12.0058 4.44979 12.5931 3.92737 6.0129 18.5442 9.25444 10.2677 7.36769 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 9.64383 12.0058 4.44979 12.5931 3.92737 6.0129 16.4267 8.46823 5.71029 6.88901 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 5.92242 9.74284 6.61111 9.42961 3.94967 6.0129 15.7178 9.84703 10.2677 7.36769 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 5.92242 9.74284 6.61111 9.42961 3.94967 6.0129 7.42446 4.62494 5.71029 6.88901 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 7.54889 10.0962 4.44979 4.47349 3.92737 6.0129 9.85543 9.25444 10.2677 7.36769 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 7.54889 10.0962 4.44979 4.47349 3.92737 6.0129 9.67482 8.46823 5.71029 6.88901 numMergedOcc 0
20 mol 98 unq 8 iso 0 dist 5.2571 10.0962 6.61111 4.47349 3.94967 6.0129 9.85543 9.84703 10.2677 7.36769 numMergedOcc 0
21 mol 98 unq 9 iso 0 dist 5.2571 10.0962 6.61111 4.47349 3.94967 6.0129 9.67482 4.62494 5.71029 6.88901 numMergedOcc 0
22 mol 98 unq 10 iso 0 dist 7.78931 11.2452 4.44979 5.65185 3.92737 6.0129 7.28361 9.25444 10.2677 7.36769 numMergedOcc 0
23 mol 98 unq 11 iso 0 dist 7.78931 11.2452 4.44979 5.65185 3.92737 6.0129 12.0974 8.46823 5.71029 6.88901 numMergedOcc 0
24 mol 98 unq 12 iso 0 dist 8.7497 11.2452 6.61111 5.65185 3.94967 6.0129 7.28361 9.84703 10.2677 7.36769 numMergedOcc 0
25 mol 98 unq 13 iso 0 dist 8.7497 11.2452 6.61111 5.65185 3.94967 6.0129 12.0974 4.62494 5.71029 6.88901 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 8.95212 16.7975 9.08536 22.9076 14.9264 7.26955 18.5284 12.1959 4.48922 7.20249 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 6.99446 7.36192 9.08536 14.2293 14.9264 7.26955 8.48588 12.1959 4.48922 7.20249 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 7.64052 10.6679 9.08536 17.9198 14.9264 7.26955 12.7877 12.1959 4.48922 7.20249 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 8.77023 9.53782 8.55349 14.4764 11.4316 7.41399 16.1302 13.1039 6.61001 6.84835 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 8.77023 9.53782 8.55349 10.9581 6.24625 9.50664 4.54648 8.83732 11.5342 8.95662 numMergedOcc 0
31 mol 133 unq 2 iso 0 dist 8.77023 9.53782 8.55349 12.5696 6.11861 6.71555 16.1302 13.1039 6.61001 8.42748 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 6.42772 5.31077 6.44575 12.1214 11.5269 8.55616 11.6067 13.3808 10.6595 6.40575 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 9.33094 5.3585 7.43401 6.23142 6.93712 8.55616 9.87376 10.1824 10.6595 6.40575 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 9.1998 6.74887 6.44575 9.94764 11.5269 8.55616 14.9876 13.3808 10.6595 6.40575 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 8.69531 6.74887 7.43401 9.94764 6.93712 8.55616 14.9876 10.1824 10.6595 6.40575 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 8.70621 10.9715 6.44575 15.049 11.5269 8.55616 19.5798 13.3808 10.6595 6.40575 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 6.64173 6.7991 9.09234 5.94469 4.98436 7.05653 9.69409 14.2797 9.67649 9.92471 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.01624 6.7991 6.76746 5.94469 11.9796 7.05653 9.69409 15.0909 9.67649 9.92471 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 9.55105 6.7991 8.92098 5.94469 12.3589 7.05653 9.69409 17.3467 9.67649 9.92471 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 5.05973 8.35755 6.76746 14.8638 11.9796 7.05653 14.6522 15.0909 9.67649 9.92471 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 6.4611 5.31116 6.66172 10.5387 5.39432 9.20749 6.70925 8.60027 4.60275 9.16942 numMergedOcc 0
