0 mol 11 unq 0 iso 0 dist 6.40513 5.9863 4.61088 4.54105 5.96346 6.86684 9.33059 4.10106 6.54358 6.859 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 15.2995 9.01567 8.67951 15.6713 8.91183 12.5088 6.19899 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.85331 9.20254 6.86014 15.2995 9.01567 8.67951 19.4859 13.0212 15.4457 8.49709 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.85331 9.20254 6.86014 12.8157 7.29868 8.52463 15.6713 8.91183 12.5088 6.61696 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.85331 9.20254 6.86014 12.8157 7.29868 8.52463 8.14598 5.69214 7.95042 5.80953 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.35095 5.76725 5.54419 10.9987 6.73939 12.176 20.5403 15.4313 20.8425 9.85784 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.35095 5.76725 5.54419 10.9987 6.73939 12.176 19.5233 14.1829 19.3627 9.87996 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 14.1443 6.47509 7.05196 5.20109 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 4.68793 5.72331 6.19529 8.68242 8.51663 8.94326 11.959 13.4019 13.8177 6.21128 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 5.00632 6.73586 5.13589 10.7143 4.39676 8.95212 8.67537 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.5984 5.11989 5.99315 11.4055 7.78652 6.48978 9.33882 4.78563 5.37047 5.06564 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 9.54731 8.91301 5.20762 9.33882 4.78563 5.37047 7.5373 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 14.1039 5.9176 5.63555 17.7213 10.6474 6.64173 8.12266 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 14.1039 5.9176 5.63555 11.1521 5.12833 9.55105 9.43306 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 9.63295 12.5935 7.63312 14.1039 5.9176 5.63555 12.519 4.61184 11.7785 8.59681 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 9.63295 12.5935 7.63312 5.39949 6.41453 7.20191 8.39573 5.93724 9.01624 5.99437 numMergedOcc 0
16 mol 181 unq 4 iso 0 dist 9.63295 12.5935 7.63312 5.39949 6.41453 7.20191 11.1521 5.12833 9.55105 8.4848 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 6.0361 8.73217 11.7429 14.1366 10.8286 17.8564 9.99396 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.69148 6.52189 8.01589 8.56453 7.67576 10.3151 13.422 6.84862 14.4477 8.43195 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 8.69148 6.52189 8.01589 8.56453 7.67576 10.3151 15.096 9.53117 16.3082 8.23406 numMergedOcc 0
20 mol 222 unq 2 iso 0 dist 8.69148 5.33282 7.7699 8.56453 7.67576 7.81022 13.422 6.84862 10.0233 8.43195 numMergedOcc 0
21 mol 222 unq 3 iso 0 dist 8.69148 5.33282 7.7699 8.56453 7.67576 7.81022 15.096 9.53117 11.839 8.23406 numMergedOcc 0
22 mol 222 unq 4 iso 0 dist 8.69148 9.97859 7.21333 8.56453 7.67576 7.75656 13.422 6.84862 5.56538 8.43195 numMergedOcc 0
23 mol 222 unq 5 iso 0 dist 8.69148 9.97859 7.21333 8.56453 7.67576 7.75656 15.096 9.53117 7.48954 8.23406 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 9.98232 10.9863 7.37839 11.1156 7.79066 9.0443 14.0384 4.15084 9.97669 9.60504 numMergedOcc 0
25 mol 231 unq 1 iso 0 dist 9.98232 10.2117 8.40182 11.1156 7.79066 12.1512 14.0384 4.15084 11.4076 9.60504 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 15.5413 9.05071 8.80479 12.6118 5.42461 10.3021 6.59036 numMergedOcc 0
