0 mol 43 unq 0 iso 0 dist 8.06275 10.4413 6.20293 8.60781 9.83618 9.49077 12.0618 5.06502 5.73819 13.5377 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 8.60781 9.83618 9.49077 14.4184 6.45462 8.93915 13.7177 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.90024 5.84171 6.20293 12.664 9.83618 9.49077 6.84521 5.06502 5.73819 13.5377 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.90024 5.84171 6.20293 12.664 9.83618 9.49077 6.78532 6.45462 8.93915 13.7177 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 10.5083 9.64665 4.67832 14.9123 5.30792 6.86465 11.4118 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.81637 11.9429 6.62496 10.5083 9.64665 4.67832 12.4928 4.81926 6.35756 9.66798 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 12.1059 6.77912 7.11552 16.5383 8.24309 9.78528 11.9814 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 5.48831 13.0773 9.96708 5.94737 7.321 9.0131 15.2832 10.7394 8.8178 13.3133 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 5.84688 9.47876 7.98917 11.5591 6.9948 7.47541 7.22293 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 5.84688 9.47876 11.6116 13.2455 4.26409 7.95579 13.6587 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 9.9795 13.0232 6.19965 5.84688 9.47876 11.6116 11.5591 6.9948 7.66905 7.22293 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 13.386 5.42582 5.41704 10.9216 5.49782 8.94367 8.79571 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 13.386 5.42582 5.41704 4.9155 5.00817 6.49416 8.6355 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 13.386 5.42582 6.17103 10.9216 5.49782 9.86662 8.79571 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 4.9155 9.30817 6.54501 13.386 8.6355 10.1448 4.68975 5.79898 9.89303 12.0514 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 4.9155 10.879 6.49416 13.386 8.6355 5.41704 10.9216 8.80819 8.94367 8.79571 numMergedOcc 0
16 mol 134 unq 5 iso 0 dist 4.9155 10.879 6.49416 13.386 8.6355 5.41704 8.84656 5.00817 6.37586 5.42582 numMergedOcc 0
17 mol 134 unq 6 iso 0 dist 8.49987 6.47843 6.54501 15.6111 8.6355 10.1448 9.64152 5.79898 9.89303 12.0514 numMergedOcc 0
18 mol 134 unq 7 iso 0 dist 8.49987 10.9399 6.49416 15.6111 8.6355 5.41704 14.7559 8.80819 8.94367 8.79571 numMergedOcc 0
19 mol 134 unq 8 iso 0 dist 8.49987 10.9399 6.49416 15.6111 8.6355 5.41704 13.0189 5.00817 6.37586 5.42582 numMergedOcc 0
20 mol 134 unq 9 iso 0 dist 9.42271 6.16353 6.54501 11.8215 8.6355 10.1448 9.15658 5.79898 9.89303 12.0514 numMergedOcc 0
21 mol 134 unq 10 iso 0 dist 9.42271 7.07625 6.49416 11.8215 8.6355 5.41704 9.79337 8.80819 8.94367 8.79571 numMergedOcc 0
22 mol 134 unq 11 iso 0 dist 9.42271 7.07625 6.49416 11.8215 8.6355 5.41704 10.5814 5.00817 6.37586 5.42582 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 9.01957 7.15475 9.49653 13.95 5.32922 5.31024 9.07935 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 9.01957 7.15475 7.53854 13.95 5.32922 7.26382 9.07935 numMergedOcc 0
25 mol 142 unq 2 iso 0 dist 4.93681 12.8283 9.2313 6.17441 7.15475 9.49653 9.86383 5.32922 5.31024 9.07935 numMergedOcc 0
26 mol 142 unq 3 iso 0 dist 4.93681 10.1677 7.73169 6.17441 7.15475 7.53854 9.86383 5.32922 7.26382 9.07935 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 4.99991 9.13561 8.25411 12.6531 5.42328 5.87555 12.4808 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 4.99991 9.13561 8.25411 14.5994 6.4896 8.67331 14.1119 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 8.34839 10.7929 7.16148 4.99991 9.13561 7.89109 12.6531 5.42328 8.87437 12.4808 numMergedOcc 0
30 mol 152 unq 3 iso 0 dist 8.34839 10.7929 7.16148 4.99991 9.13561 7.89109 14.5994 6.4896 8.05741 14.1119 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 5.66378 7.18956 7.61682 10.9296 6.8425 6.00706 10.8957 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 5.77925 6.59536 8.03456 11.3746 7.17676 11.8759 11.8216 7.28249 9.81562 5.34718 numMergedOcc 0
33 mol 236 unq 1 iso 0 dist 5.77925 6.59536 8.03456 5.79263 6.68463 9.07822 11.8216 7.28249 9.81562 10.5713 numMergedOcc 0
34 mol 236 unq 2 iso 0 dist 5.77925 8.93012 6.84306 11.3746 7.17676 11.3552 11.8216 7.28249 7.68742 5.34718 numMergedOcc 0
35 mol 236 unq 3 iso 0 dist 5.77925 8.93012 6.84306 5.79263 6.68463 11.6837 11.8216 7.28249 7.68742 10.5713 numMergedOcc 0
36 mol 236 unq 4 iso 0 dist 5.77925 12.1686 9.99038 11.3746 7.17676 6.04825 11.8216 7.28249 6.27581 5.34718 numMergedOcc 0
37 mol 236 unq 5 iso 0 dist 5.77925 12.1686 9.99038 5.79263 6.68463 8.8265 11.8216 7.28249 6.27581 10.5713 numMergedOcc 0
38 mol 236 unq 6 iso 0 dist 5.77925 10.5925 8.35971 11.3746 7.17676 6.40312 10.4879 7.43758 8.04248 10.6445 numMergedOcc 0
39 mol 236 unq 7 iso 0 dist 5.77925 10.5925 8.35971 5.79263 6.68463 6.2568 10.4879 7.43758 8.04248 10.5433 numMergedOcc 0
40 mol 252 unq 0 iso 0 dist 6.17985 6.79111 8.1148 7.02444 7.66365 4.23801 11.8637 8.41807 8.1715 10.165 numMergedOcc 0
41 mol 252 unq 1 iso 0 dist 6.17985 6.02958 8.33025 7.02444 7.66365 9.37715 11.8637 8.41807 9.2288 10.165 numMergedOcc 0
42 mol 252 unq 2 iso 0 dist 6.17985 6.02958 8.33025 7.02444 7.66365 9.37715 13.0333 14.9102 7.19638 14.7097 numMergedOcc 0
