0 mol 16 unq 0 iso 0 dist 8.33883 5.38671 5.05803 10.2885 6.93532 5.30082 5.77753 6.2983 7.03948 11.7521 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 5.45161 6.31718 10.2885 6.93532 10.4366 5.77753 6.2983 5.47769 11.7521 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 6.64072 5.93884 5.78774 16.5678 10.2241 9.58673 13.7654 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 6.64072 7.68678 5.78774 16.5678 7.05413 9.58673 13.7654 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 6.4154 7.41074 8.70133 7.10439 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.89722 5.2774 6.19304 11.5412 9.24757 6.56633 6.4154 7.41074 4.65521 7.10439 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 9.51458 7.41074 8.70133 7.10439 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.26679 5.44275 6.19304 11.2253 9.24757 6.56633 9.51458 7.41074 4.65521 7.10439 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 9.52463 6.95572 9.50382 11.3299 6.99832 5.81965 5.39745 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 4.98104 10.7572 7.4729 6.07224 7.38677 12.7565 11.3299 6.99832 5.81965 10.8154 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 4.98104 5.50764 6.82344 9.52463 6.95572 7.56363 11.3299 6.99832 9.70512 5.39745 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 4.98104 5.50764 6.82344 6.07224 7.38677 5.91004 11.3299 6.99832 9.70512 10.8154 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 9.01767 6.42572 7.36792 10.4216 8.31932 7.42011 11.9326 5.498 9.94856 13.2332 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 9.80678 5.54551 7.36792 12.8733 8.31932 7.42011 9.50209 5.498 9.94856 13.2332 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 6.25204 8.00003 10.4376 13.9827 9.35964 9.80862 16.6554 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 6.49205 5.19198 6.18601 6.25204 8.00003 10.4376 12.9568 10.3457 8.43904 16.109 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 9.42766 14.0677 8.73993 13.1831 6.52773 7.20179 19.0836 10.6679 9.63176 11.8717 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 9.42766 14.0677 8.73993 6.34278 9.23858 9.89358 19.0836 10.6679 9.63176 15.8603 numMergedOcc 0
18 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 4.43093 6.30546 6.0268 11.7153 7.01257 7.75534 7.36017 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 7.30021 5.0966 7.44554 9.69888 9.4013 5.71511 11.6317 6.29785 9.36805 10.735 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 7.30021 12.865 9.83699 9.69888 9.4013 5.80008 11.6317 6.29785 7.55203 10.735 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 9.8711 4.90657 9.23153 4.39102 6.59716 7.11498 10.4686 6.7067 6.84247 9.7334 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 9.8711 4.90657 9.23153 4.39102 6.59716 7.11498 10.0817 15.9568 6.99002 13.5801 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 8.7347 4.28891 7.54212 15.9714 9.07471 13.3447 5.04916 7.61682 7.18956 16.4961 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 16.3489 7.43071 6.35849 8.34104 6.43754 8.17891 12.2922 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 5.75236 5.41321 10.9607 8.34104 6.43754 8.17891 7.57454 numMergedOcc 0
26 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 16.3489 7.43071 10.204 13.6158 14.6185 9.62609 19.0662 numMergedOcc 0
27 mol 227 unq 3 iso 0 dist 9.17826 13.2783 8.65997 16.3489 7.43071 10.204 8.34104 6.43754 6.95902 12.2922 numMergedOcc 0
28 mol 227 unq 4 iso 0 dist 9.17826 13.2783 8.65997 5.75236 5.41321 9.72615 13.6158 14.6185 9.62609 14.0608 numMergedOcc 0
29 mol 227 unq 5 iso 0 dist 9.17826 13.2783 8.65997 5.75236 5.41321 9.72615 8.34104 6.43754 6.95902 7.57454 numMergedOcc 0
30 mol 227 unq 6 iso 0 dist 9.17826 11.4528 7.55216 16.3489 7.43071 9.32448 17.5201 11.662 8.83563 10.4957 numMergedOcc 0
31 mol 227 unq 7 iso 0 dist 9.17826 11.4528 7.55216 5.75236 5.41321 6.48027 17.5201 11.662 8.83563 13.792 numMergedOcc 0
32 mol 227 unq 8 iso 0 dist 9.64299 7.69739 7.09863 9.17153 6.02296 6.35849 14.2244 9.13836 8.17891 12.2922 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 10.9643 7.08526 8.81835 9.27954 5.79468 7.48005 8.71497 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 6.75305 10.0289 6.24356 6.28052 5.93616 7.52936 9.67417 5.12409 9.0012 5.91213 numMergedOcc 0
35 mol 264 unq 1 iso 0 dist 6.75305 10.0289 6.24356 6.28052 5.93616 7.52936 13.3898 9.67998 9.5784 7.34094 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.696 5.1874 8.49997 14.679 9.85289 11.4459 5.12523 6.8406 7.97444 14.7249 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 7.46507 9.0975 5.65568 10.0733 6.3384 6.85028 11.0343 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 5.67266 5.04235 6.33524 7.46507 9.0975 5.0324 10.0733 6.3384 7.32347 11.0343 numMergedOcc 0
39 mol 282 unq 2 iso 0 dist 5.80981 9.60898 8.04483 7.79565 9.0975 5.65568 11.4393 6.3384 6.85028 11.0343 numMergedOcc 0
40 mol 282 unq 3 iso 0 dist 5.80981 8.37652 6.33524 7.79565 9.0975 5.0324 11.4393 6.3384 7.32347 11.0343 numMergedOcc 0
41 mol 282 unq 4 iso 0 dist 9.63346 4.85461 8.04483 10.4926 9.0975 5.65568 5.2527 6.3384 6.85028 11.0343 numMergedOcc 0
42 mol 282 unq 5 iso 0 dist 9.63346 8.85797 6.33524 10.4926 9.0975 5.0324 5.2527 6.3384 7.32347 11.0343 numMergedOcc 0
