0 mol 96 unq 0 iso 0 dist 9.73668 8.9536 10.5085 8.36645 14.8597 7.3964 11.7176 14.3187 5.04559 5.92032 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 8.87856 6.04768 11.3708 10.8678 10.8121 6.62972 7.00285 9.94628 4.67519 5.88354 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 8.87856 6.04768 11.3708 10.8678 10.8121 6.62972 10.3108 14.4251 6.6076 7.89665 numMergedOcc 0
3 mol 98 unq 2 iso 0 dist 8.87856 6.04768 11.3708 10.8678 10.8121 6.62972 13.7866 12.1021 10.6513 5.39354 numMergedOcc 0
4 mol 98 unq 3 iso 0 dist 8.87856 6.04768 11.3708 10.8678 10.8121 6.62972 11.8527 7.53156 10.4027 5.74854 numMergedOcc 0
5 mol 98 unq 4 iso 0 dist 8.87856 6.04768 11.3708 10.8678 10.8121 6.62972 17.2653 18.4394 12.3568 8.76566 numMergedOcc 0
6 mol 98 unq 5 iso 0 dist 8.87856 6.04768 11.3708 10.8678 10.8121 6.62972 19.5694 18.6256 14.5457 8.8368 numMergedOcc 0
7 mol 98 unq 6 iso 0 dist 6.2491 6.04768 7.43547 10.8678 11.2452 6.62972 7.00285 5.39087 4.67519 5.88354 numMergedOcc 0
8 mol 98 unq 7 iso 0 dist 6.2491 6.04768 7.43547 10.8678 11.2452 6.62972 10.3108 6.60298 6.6076 7.89665 numMergedOcc 0
9 mol 98 unq 8 iso 0 dist 6.2491 6.04768 7.43547 10.8678 11.2452 6.62972 13.7866 12.1193 10.6513 5.39354 numMergedOcc 0
10 mol 98 unq 9 iso 0 dist 6.2491 6.04768 7.43547 10.8678 11.2452 6.62972 11.8527 12.2431 10.4027 5.74854 numMergedOcc 0
11 mol 98 unq 10 iso 0 dist 6.2491 6.04768 7.43547 10.8678 11.2452 6.62972 17.2653 14.444 12.3568 8.76566 numMergedOcc 0
12 mol 98 unq 11 iso 0 dist 6.2491 6.04768 7.43547 10.8678 11.2452 6.62972 19.5694 18.63 14.5457 8.8368 numMergedOcc 0
13 mol 98 unq 12 iso 0 dist 3.59451 9.40173 7.43547 13.5865 11.2452 6.62972 8.02354 5.39087 4.67519 5.88354 numMergedOcc 0
14 mol 98 unq 13 iso 0 dist 3.59451 9.40173 7.43547 13.5865 11.2452 6.62972 10.1372 6.60298 6.6076 7.89665 numMergedOcc 0
15 mol 98 unq 14 iso 0 dist 3.59451 9.40173 7.43547 13.5865 11.2452 6.62972 14.6816 12.1193 10.6513 5.39354 numMergedOcc 0
16 mol 98 unq 15 iso 0 dist 3.59451 9.40173 7.43547 13.5865 11.2452 6.62972 13.7128 12.2431 10.4027 5.74854 numMergedOcc 0
17 mol 98 unq 16 iso 0 dist 3.59451 9.40173 7.43547 13.5865 11.2452 6.62972 17.8475 14.444 12.3568 8.76566 numMergedOcc 0
18 mol 98 unq 17 iso 0 dist 3.59451 9.40173 7.43547 13.5865 11.2452 6.62972 21.577 18.63 14.5457 8.8368 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 7.26463 8.61574 13.6411 6.89245 12.4974 7.91683 8.88255 9.35307 9.89358 7.77116 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.07096 8.05937 6.4025 5.53632 13.5527 9.9151 7.85527 11.2951 7.45148 7.99623 numMergedOcc 0
21 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 11.923 16.7453 9.13191 14.3553 14.761 8.01932 9.28592 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 6.47989 8.32841 5.46268 14.911 12.1898 7.46845 10.6253 9.67236 5.81563 5.38091 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 7.68078 8.78652 11.256 5.20757 11.3772 5.57779 12.598 16.8259 5.85636 7.63018 numMergedOcc 0
24 mol 210 unq 1 iso 0 dist 7.68078 9.01437 12.6561 5.20757 11.3772 7.05649 12.598 16.8259 10.0337 7.63018 numMergedOcc 0
25 mol 210 unq 2 iso 0 dist 9.26518 8.78652 11.3555 5.20757 8.53457 5.57779 12.598 13.2569 5.85636 7.63018 numMergedOcc 0
26 mol 210 unq 3 iso 0 dist 9.26518 9.01437 4.94588 5.20757 8.53457 7.05649 12.598 13.2569 10.0337 7.63018 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 8.58709 7.58118 4.39102 6.71715 6.50846 5.37796 6.21273 4.90657 7.11498 5.45036 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 9.78444 6.47859 10.225 5.71442 13.5774 5.0804 8.7017 7.87566 5.05321 8.67805 numMergedOcc 0
29 mol 248 unq 0 iso 0 dist 9.8995 8.80866 5.35196 9.94694 11.7809 7.97135 11.505 7.01447 4.30004 6.77954 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 9.42193 9.1191 5.53685 9.71846 6.88874 7.39391 13.4304 5.26867 6.35641 6.86945 numMergedOcc 0
