0 mol 7 unq 0 iso 0 dist 9.67164 10.515 8.81608 5.72491 8.0744 7.45262 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.67164 10.515 8.81608 9.67579 11.7002 6.96586 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.99459 6.06176 8.81608 7.88043 8.0744 7.45262 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.99459 6.06176 8.81608 8.80762 11.7002 6.96586 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 5.8245 11.4878 9.81658 8.83269 8.17486 9.82483 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.48085 12.1492 8.53931 16.357 11.7199 8.5404 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.49421 4.70708 8.53931 6.6492 11.7199 8.5404 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 11.8778 9.45442 8.42581 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 9.69044 11.7069 9.1062 15.0857 6.35287 9.87677 numMergedOcc 0
9 mol 62 unq 1 iso 0 dist 6.9103 5.49555 9.1062 10.9202 6.35287 9.87677 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.95212 10.3457 6.13374 14.6439 6.29394 9.87025 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.95212 16.7975 9.08536 22.1873 13.2984 9.05798 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 8.95212 16.7975 9.08536 14.6439 6.29394 5.85818 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 6.99446 6.35763 6.13374 7.99857 6.29394 9.87025 numMergedOcc 0
14 mol 119 unq 4 iso 0 dist 6.99446 7.36192 9.08536 15.5802 13.2984 9.05798 numMergedOcc 0
15 mol 119 unq 5 iso 0 dist 6.99446 7.36192 9.08536 7.99857 6.29394 5.85818 numMergedOcc 0
16 mol 119 unq 6 iso 0 dist 7.64052 10.0197 6.13374 8.56342 6.29394 9.87025 numMergedOcc 0
17 mol 119 unq 7 iso 0 dist 7.64052 10.6679 9.08536 17.7572 13.2984 9.05798 numMergedOcc 0
18 mol 119 unq 8 iso 0 dist 7.64052 10.6679 9.08536 8.56342 6.29394 5.85818 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 8.77023 9.53782 8.55349 15.7571 9.82696 8.07135 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.10524 14.0644 5.73203 19.7519 12.9744 8.77898 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 5.35237 8.96357 6.57379 16.4904 15.1517 8.77898 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 9.00918 5.9915 5.73203 10.4384 12.9744 8.77898 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 7.99477 5.9915 6.57379 10.4384 15.1517 8.77898 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 7.36975 6.01455 7.05845 7.63338 3.75378 8.1582 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 7.36975 6.01455 7.05845 7.25673 9.30534 7.88655 numMergedOcc 0
26 mol 143 unq 2 iso 0 dist 7.36975 5.44503 8.18023 8.41611 9.05786 6.40901 numMergedOcc 0
27 mol 143 unq 3 iso 0 dist 7.36975 5.44503 8.18023 7.63338 3.75378 9.40626 numMergedOcc 0
28 mol 143 unq 4 iso 0 dist 5.40637 5.44503 7.46803 8.41611 6.16103 6.40901 numMergedOcc 0
29 mol 143 unq 5 iso 0 dist 5.40637 5.44503 7.46803 7.63338 8.4697 9.40626 numMergedOcc 0
30 mol 184 unq 0 iso 0 dist 6.73504 6.47974 7.59939 8.77887 6.19242 6.21206 numMergedOcc 0
31 mol 197 unq 0 iso 0 dist 9.10817 5.2908 9.27218 13.1911 15.0713 9.71865 numMergedOcc 0
32 mol 197 unq 1 iso 0 dist 6.86828 6.23998 9.27218 15.5295 15.0713 9.71865 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 7.46481 6.67959 8.70987 6.38157 5.73082 5.10114 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 11.5332 6.35462 5.13453 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 8.1945 10.7506 8.91356 15.6311 16.563 7.95883 numMergedOcc 0
36 mol 225 unq 2 iso 0 dist 6.50998 8.69249 8.91356 6.6561 6.35462 5.13453 numMergedOcc 0
37 mol 225 unq 3 iso 0 dist 6.50998 8.69249 8.91356 16.3626 16.563 7.95883 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 7.81215 12.1076 7.20293 13.7892 11.7392 9.06084 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 5.64285 6.29366 7.20293 14.2988 11.7392 9.06084 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 9.07475 10.0613 9.82327 11.589 9.58024 5.91208 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 6.99888 5.54325 5.43613 5.52379 5.63944 6.89694 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 6.99888 5.54325 5.43613 11.589 6.94907 6.44735 numMergedOcc 0
43 mol 238 unq 3 iso 0 dist 6.99888 10.0613 7.06768 11.589 6.94907 5.91208 numMergedOcc 0
44 mol 238 unq 4 iso 0 dist 9.08509 5.17471 5.43613 11.9624 5.63944 6.89694 numMergedOcc 0
45 mol 238 unq 5 iso 0 dist 9.08509 5.17471 5.43613 5.64181 6.94907 6.44735 numMergedOcc 0
46 mol 238 unq 6 iso 0 dist 9.08509 5.03393 7.06768 5.64181 6.94907 5.91208 numMergedOcc 0
47 mol 248 unq 0 iso 0 dist 9.05018 6.48757 5.0345 6.17052 7.14182 8.53148 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 5.85442 5.79468 6.23661 8.55558 7.32929 6.39918 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 8.03219 5.31048 8.84648 8.59697 4.67584 6.39918 numMergedOcc 0
50 mol 259 unq 2 iso 0 dist 6.9899 5.31048 6.23661 8.59697 7.32929 6.39918 numMergedOcc 0
