0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99459 6.88805 8.0744 6.06176 6.36911 7.45262 8.81608 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 6.06176 6.36911 6.96586 8.81608 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 9.67164 13.156 8.0744 10.515 9.36807 7.45262 8.81608 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 9.51761 7.55766 12.4713 5.65084 12.6536 4.8604 7.04695 12.3965 9.4753 5.04478 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 7.3094 7.55766 6.48196 5.65084 9.36767 4.8604 7.04695 12.8594 9.4753 5.04478 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 9.49421 13.6145 11.7199 4.70708 9.43699 8.5404 8.53931 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.57578 6.90155 9.36158 9.48085 5.18617 13.7717 12.1492 12.8446 18.7238 8.53931 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 7.17969 6.90155 10.1525 9.48085 5.68041 13.7717 12.1492 11.7303 18.7238 8.53931 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 9.42082 15.3161 10.5109 10.9739 17.6696 14.0242 8.0168 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 10.9739 7.76729 14.0242 8.0168 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 10.9739 12.9821 14.0242 8.0168 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 7.64052 9.68677 6.29394 10.0197 14.0269 9.87025 6.13374 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 7.64052 9.68677 6.29394 10.6679 9.63176 5.85818 9.08536 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.73993 6.37542 6.08167 7.64052 9.68677 9.64502 10.0197 14.0269 14.5497 6.13374 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 8.73993 6.37542 6.08167 7.64052 9.68677 9.64502 10.6679 9.63176 13.4689 9.08536 numMergedOcc 0
15 mol 119 unq 4 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 6.35763 6.19042 9.87025 6.13374 numMergedOcc 0
16 mol 119 unq 5 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 7.36192 7.44174 5.85818 9.08536 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.36975 13.1926 9.05786 6.01455 9.27292 13.143 7.05845 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 7.36975 13.1926 9.05786 5.44503 9.93541 6.40901 8.18023 numMergedOcc 0
19 mol 143 unq 2 iso 0 dist 5.99315 8.41611 12.7056 5.40637 7.39837 6.16103 5.44503 9.93541 6.40901 7.46803 numMergedOcc 0
20 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 7.36975 13.1926 3.75378 6.01455 9.27292 8.1582 7.05845 numMergedOcc 0
21 mol 143 unq 4 iso 0 dist 5.99315 7.63338 12.8872 7.36975 13.1926 3.75378 5.44503 9.93541 9.40626 8.18023 numMergedOcc 0
22 mol 143 unq 5 iso 0 dist 5.99315 7.63338 12.8872 5.40637 7.39837 8.4697 5.44503 9.93541 9.40626 7.46803 numMergedOcc 0
23 mol 143 unq 6 iso 0 dist 5.99315 9.03707 7.76364 7.36975 13.1926 14.0356 6.01455 9.27292 12.5074 7.05845 numMergedOcc 0
24 mol 143 unq 7 iso 0 dist 5.99315 9.03707 7.76364 7.36975 13.1926 14.0356 5.44503 9.93541 12.6197 8.18023 numMergedOcc 0
25 mol 143 unq 8 iso 0 dist 5.99315 9.03707 7.76364 5.40637 7.39837 5.41614 5.44503 9.93541 12.6197 7.46803 numMergedOcc 0
26 mol 143 unq 9 iso 0 dist 5.99315 7.25673 9.23795 7.36975 13.1926 9.30534 6.01455 9.27292 7.88655 7.05845 numMergedOcc 0
27 mol 143 unq 10 iso 0 dist 5.99315 7.25673 9.23795 7.36975 13.1926 9.30534 5.44503 9.93541 11.7726 8.18023 numMergedOcc 0
28 mol 143 unq 11 iso 0 dist 5.99315 7.25673 9.23795 5.40637 7.39837 6.78032 5.44503 9.93541 11.7726 7.46803 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.65138 6.38157 7.38025 7.46481 11.4955 5.73082 6.67959 10.852 5.10114 8.70987 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 7.14453 6.38157 9.35273 7.46481 8.459 5.73082 6.67959 12.6888 5.10114 8.70987 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 8.85478 6.38157 5.63388 7.46481 11.1534 5.73082 6.67959 7.46831 5.10114 8.70987 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 9.45496 7.5366 5.63086 7.81215 12.4252 11.0592 5.56749 15.004 12.5852 9.11572 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 9.45496 7.5366 5.63086 7.81215 12.4252 11.0592 15.015 21.615 20.199 9.49229 numMergedOcc 0
34 mol 234 unq 2 iso 0 dist 9.45496 7.5366 5.63086 7.81215 12.4252 11.0592 12.1076 17.6567 17.4956 7.20293 numMergedOcc 0
35 mol 234 unq 3 iso 0 dist 6.7625 7.5366 5.6819 7.81215 5.75498 11.0592 5.56749 10.8628 12.5852 9.11572 numMergedOcc 0
36 mol 234 unq 4 iso 0 dist 6.7625 7.5366 5.6819 7.81215 5.75498 11.0592 15.015 15.1691 20.199 9.49229 numMergedOcc 0
37 mol 234 unq 5 iso 0 dist 6.7625 7.5366 5.6819 7.81215 5.75498 11.0592 12.1076 12.6312 17.4956 7.20293 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 9.72188 7.06793 13.0611 15.5674 15.9735 13.8085 9.84652 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 6.22714 5.64181 10.216 9.08509 12.7938 6.94907 5.17471 7.49471 6.44735 5.43613 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 6.22714 5.64181 10.216 9.08509 12.7938 6.94907 5.03393 10.9946 5.91208 7.06768 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 5.17471 7.19008 6.44735 5.43613 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 5.03393 11.3465 5.91208 7.06768 numMergedOcc 0
43 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 9.05018 4.58289 7.14182 6.48757 6.07192 8.53148 5.0345 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.85442 10.067 7.32929 5.79468 7.48005 6.39918 6.23661 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 5.30224 8.59697 7.31951 8.03219 4.04513 4.67584 5.31048 8.37865 6.39918 8.84648 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 5.30224 8.59697 7.31951 6.9899 7.09907 7.32929 5.31048 8.37865 6.39918 6.23661 numMergedOcc 0
