0 mol 7 unq 0 iso 0 dist 9.67164 12.2041 5.99459 10.515 8.81608 6.06176 5.72491 8.0744 7.88043 7.45262 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 5.99459 12.2041 9.67164 6.06176 8.81608 10.515 7.88043 8.0744 5.72491 7.45262 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.67164 12.2041 5.99459 10.515 8.81608 6.06176 9.67579 11.7002 8.80762 6.96586 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 5.99459 12.2041 9.67164 6.06176 8.81608 10.515 8.80762 11.7002 9.67579 6.96586 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.48085 10.9391 9.49421 12.1492 8.53931 4.70708 16.357 11.7199 6.6492 8.5404 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 9.49421 10.9391 9.48085 4.70708 8.53931 12.1492 6.6492 11.7199 16.357 8.5404 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 9.69044 8.62608 6.9103 11.7069 9.1062 5.49555 15.0857 6.35287 10.9202 9.87677 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 6.9103 8.62608 9.69044 5.49555 9.1062 11.7069 10.9202 6.35287 15.0857 9.87677 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 10.3457 6.13374 6.35763 14.6439 6.29394 7.99857 9.87025 numMergedOcc 0
9 mol 119 unq 0 iso 1 dist 6.99446 10.9871 8.95212 6.35763 6.13374 10.3457 7.99857 6.29394 14.6439 9.87025 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.95212 10.9871 6.99446 16.7975 9.08536 7.36192 22.1873 13.2984 15.5802 9.05798 numMergedOcc 0
11 mol 119 unq 1 iso 1 dist 6.99446 10.9871 8.95212 7.36192 9.08536 16.7975 15.5802 13.2984 22.1873 9.05798 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 8.95212 10.9871 6.99446 16.7975 9.08536 7.36192 14.6439 6.29394 7.99857 5.85818 numMergedOcc 0
13 mol 119 unq 2 iso 1 dist 6.99446 10.9871 8.95212 7.36192 9.08536 16.7975 7.99857 6.29394 14.6439 5.85818 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 8.95212 9.93257 7.64052 10.3457 6.13374 10.0197 14.6439 6.29394 8.56342 9.87025 numMergedOcc 0
15 mol 119 unq 3 iso 1 dist 7.64052 9.93257 8.95212 10.0197 6.13374 10.3457 8.56342 6.29394 14.6439 9.87025 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 8.95212 9.93257 7.64052 16.7975 9.08536 10.6679 22.1873 13.2984 17.7572 9.05798 numMergedOcc 0
17 mol 119 unq 4 iso 1 dist 7.64052 9.93257 8.95212 10.6679 9.08536 16.7975 17.7572 13.2984 22.1873 9.05798 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 8.95212 9.93257 7.64052 16.7975 9.08536 10.6679 14.6439 6.29394 8.56342 5.85818 numMergedOcc 0
19 mol 119 unq 5 iso 1 dist 7.64052 9.93257 8.95212 10.6679 9.08536 16.7975 8.56342 6.29394 14.6439 5.85818 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 6.99446 4.85907 7.64052 6.35763 6.13374 10.0197 7.99857 6.29394 8.56342 9.87025 numMergedOcc 0
21 mol 119 unq 3 iso 1 dist 7.64052 4.85907 6.99446 10.0197 6.13374 6.35763 8.56342 6.29394 7.99857 9.87025 numMergedOcc 0
22 mol 119 unq 4 iso 0 dist 6.99446 4.85907 7.64052 7.36192 9.08536 10.6679 15.5802 13.2984 17.7572 9.05798 numMergedOcc 0
23 mol 119 unq 4 iso 1 dist 7.64052 4.85907 6.99446 10.6679 9.08536 7.36192 17.7572 13.2984 15.5802 9.05798 numMergedOcc 0
24 mol 119 unq 5 iso 0 dist 6.99446 4.85907 7.64052 7.36192 9.08536 10.6679 7.99857 6.29394 8.56342 5.85818 numMergedOcc 0
25 mol 119 unq 5 iso 1 dist 7.64052 4.85907 6.99446 10.6679 9.08536 7.36192 8.56342 6.29394 7.99857 5.85818 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.10524 14.069 9.00918 14.0644 5.73203 5.9915 19.7519 12.9744 10.4384 8.77898 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 9.00918 14.069 9.10524 5.9915 5.73203 14.0644 10.4384 12.9744 19.7519 8.77898 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 5.35237 6.90348 7.99477 8.96357 6.57379 5.9915 16.4904 15.1517 10.4384 8.77898 numMergedOcc 0
29 mol 134 unq 1 iso 1 dist 7.99477 6.90348 5.35237 5.9915 6.57379 8.96357 10.4384 15.1517 16.4904 8.77898 numMergedOcc 0
30 mol 197 unq 0 iso 0 dist 9.10817 5.43601 6.86828 5.2908 9.27218 6.23998 13.1911 15.0713 15.5295 9.71865 numMergedOcc 0
31 mol 197 unq 0 iso 1 dist 6.86828 5.43601 9.10817 6.23998 9.27218 5.2908 15.5295 15.0713 13.1911 9.71865 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.1945 13.3965 6.50998 10.7506 8.91356 8.69249 11.5332 6.35462 6.6561 5.13453 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 6.50998 13.3965 8.1945 8.69249 8.91356 10.7506 6.6561 6.35462 11.5332 5.13453 numMergedOcc 0
34 mol 225 unq 1 iso 0 dist 8.1945 13.3965 6.50998 10.7506 8.91356 8.69249 15.6311 16.563 16.3626 7.95883 numMergedOcc 0
35 mol 225 unq 1 iso 1 dist 6.50998 13.3965 8.1945 8.69249 8.91356 10.7506 16.3626 16.563 15.6311 7.95883 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 7.81215 10.2693 5.64285 12.1076 7.20293 6.29366 13.7892 11.7392 14.2988 9.06084 numMergedOcc 0
37 mol 234 unq 0 iso 1 dist 5.64285 10.2693 7.81215 6.29366 7.20293 12.1076 14.2988 11.7392 13.7892 9.06084 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.99888 10.1813 9.08509 5.54325 5.43613 5.17471 5.52379 5.63944 11.9624 6.89694 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 9.08509 10.1813 6.99888 5.17471 5.43613 5.54325 11.9624 5.63944 5.52379 6.89694 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 6.99888 10.1813 9.08509 5.54325 5.43613 5.17471 11.589 6.94907 5.64181 6.44735 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 9.08509 10.1813 6.99888 5.17471 5.43613 5.54325 5.64181 6.94907 11.589 6.44735 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 6.99888 10.1813 9.08509 10.0613 7.06768 5.03393 11.589 6.94907 5.64181 5.91208 numMergedOcc 0
43 mol 238 unq 2 iso 1 dist 9.08509 10.1813 6.99888 5.03393 7.06768 10.0613 5.64181 6.94907 11.589 5.91208 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 5.85442 9.98105 6.9899 5.79468 6.23661 5.31048 8.55558 7.32929 8.59697 6.39918 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 6.9899 9.98105 5.85442 5.31048 6.23661 5.79468 8.59697 7.32929 8.55558 6.39918 numMergedOcc 0
