0 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 6.06176 6.36911 8.81608 7.88043 10.2446 8.0744 7.45262 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 5.99459 6.88805 6.06176 6.36911 8.81608 8.80762 12.3097 11.7002 6.96586 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.67164 13.156 10.515 9.36807 8.81608 5.72491 5.44992 8.0744 7.45262 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.67164 13.156 10.515 9.36807 8.81608 9.67579 4.74523 11.7002 6.96586 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 5.8245 5.84314 11.4878 6.33889 9.81658 8.83269 11.0722 8.17486 9.82483 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 4.70708 9.43699 8.53931 6.6492 9.20601 11.7199 8.5404 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.57578 9.48085 5.18617 12.1492 12.8446 8.53931 16.357 15.572 11.7199 8.5404 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 7.17969 9.48085 5.68041 12.1492 11.7303 8.53931 16.357 16.7731 11.7199 8.5404 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 10.0197 14.0269 6.13374 8.56342 4.91132 6.29394 9.87025 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.73993 7.64052 9.68677 10.6679 9.63176 9.08536 17.7572 12.7179 13.2984 9.05798 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.73993 7.64052 9.68677 10.6679 9.63176 9.08536 8.56342 4.91132 6.29394 5.85818 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 9.87172 6.99446 6.20019 6.35763 6.19042 6.13374 7.99857 7.61939 6.29394 9.87025 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 9.87172 6.99446 6.20019 7.36192 7.44174 9.08536 15.5802 9.15779 13.2984 9.05798 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 9.87172 6.99446 6.20019 7.36192 7.44174 9.08536 7.99857 7.61939 6.29394 5.85818 numMergedOcc 0
14 mol 119 unq 6 iso 0 dist 6.18601 8.95212 4.39676 10.3457 8.43904 6.13374 14.6439 10.326 6.29394 9.87025 numMergedOcc 0
15 mol 119 unq 7 iso 0 dist 6.18601 8.95212 4.39676 16.7975 13.4411 9.08536 22.1873 16.8605 13.2984 9.05798 numMergedOcc 0
16 mol 119 unq 8 iso 0 dist 6.18601 8.95212 4.39676 16.7975 13.4411 9.08536 14.6439 10.326 6.29394 5.85818 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.29155 8.77023 13.0405 9.53782 11.3058 8.55349 15.7571 18.8272 9.82696 8.07135 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 6.80239 8.77023 13.7612 9.53782 16.0613 8.55349 15.7571 22.1771 9.82696 8.07135 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 8.00618 8.77023 15.0115 9.53782 16.3407 8.55349 15.7571 21.8242 9.82696 8.07135 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 6.01455 9.27292 7.05845 7.63338 12.8872 3.75378 8.1582 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 5.99315 7.36975 13.1926 6.01455 9.27292 7.05845 7.25673 9.23795 9.30534 7.88655 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 5.99315 7.36975 13.1926 5.44503 9.93541 8.18023 8.41611 12.7056 9.05786 6.40901 numMergedOcc 0
23 mol 143 unq 3 iso 0 dist 5.99315 7.36975 13.1926 5.44503 9.93541 8.18023 7.63338 12.8872 3.75378 9.40626 numMergedOcc 0
24 mol 143 unq 4 iso 0 dist 5.99315 5.40637 7.39837 5.44503 9.93541 7.46803 8.41611 12.7056 6.16103 6.40901 numMergedOcc 0
25 mol 143 unq 5 iso 0 dist 5.99315 5.40637 7.39837 5.44503 9.93541 7.46803 7.63338 12.8872 8.4697 9.40626 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.65138 7.46481 11.4955 6.67959 10.852 8.70987 6.38157 7.38025 5.73082 5.10114 numMergedOcc 0
27 mol 214 unq 1 iso 0 dist 7.14453 7.46481 8.459 6.67959 12.6888 8.70987 6.38157 9.35273 5.73082 5.10114 numMergedOcc 0
28 mol 214 unq 2 iso 0 dist 8.85478 7.46481 11.1534 6.67959 7.46831 8.70987 6.38157 5.63388 5.73082 5.10114 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 12.1076 17.6567 7.20293 13.7892 15.1535 11.7392 9.06084 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 6.7625 7.81215 5.75498 12.1076 12.6312 7.20293 13.7892 14.3432 11.7392 9.06084 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 6.22714 9.08509 12.7938 5.17471 7.49471 5.43613 11.9624 13.0113 5.63944 6.89694 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.22714 9.08509 12.7938 5.17471 7.49471 5.43613 5.64181 10.216 6.94907 6.44735 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 6.22714 9.08509 12.7938 5.03393 10.9946 7.06768 5.64181 10.216 6.94907 5.91208 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 7.31233 9.08509 11.0772 5.17471 7.19008 5.43613 11.9624 11.0349 5.63944 6.89694 numMergedOcc 0
35 mol 238 unq 4 iso 0 dist 7.31233 9.08509 11.0772 5.17471 7.19008 5.43613 5.64181 7.83352 6.94907 6.44735 numMergedOcc 0
36 mol 238 unq 5 iso 0 dist 7.31233 9.08509 11.0772 5.03393 11.3465 7.06768 5.64181 7.83352 6.94907 5.91208 numMergedOcc 0
37 mol 248 unq 0 iso 0 dist 7.69895 9.05018 4.58289 6.48757 6.07192 5.0345 6.17052 5.99459 7.14182 8.53148 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 7.46176 5.85442 10.067 5.79468 7.48005 6.23661 8.55558 5.60748 7.32929 6.39918 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 5.30224 8.03219 4.04513 5.31048 8.37865 8.84648 8.59697 7.31951 4.67584 6.39918 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 5.30224 6.9899 7.09907 5.31048 8.37865 6.23661 8.59697 7.31951 7.32929 6.39918 numMergedOcc 0
