0 mol 37 unq 0 iso 0 dist 7.65802 8.50293 7.14868 8.82649 5.58769 9.82644 numMergedOcc 0
1 mol 37 unq 0 iso 1 dist 7.65802 8.82649 5.58769 8.50293 7.14868 9.82644 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.06142 6.28472 7.18997 8.74881 10.9335 6.54926 numMergedOcc 0
3 mol 56 unq 0 iso 1 dist 9.06142 8.74881 10.9335 6.28472 7.18997 6.54926 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 8.41264 6.28472 8.66669 8.74881 7.7551 6.54926 numMergedOcc 0
5 mol 56 unq 1 iso 1 dist 8.41264 8.74881 7.7551 6.28472 8.66669 6.54926 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.92529 6.59302 4.96361 9.93626 11.7369 10.8132 numMergedOcc 0
7 mol 71 unq 0 iso 1 dist 8.92529 9.93626 11.7369 6.59302 4.96361 10.8132 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.2254 5.80433 11.9365 6.8285 13.7178 4.84512 numMergedOcc 0
9 mol 186 unq 0 iso 1 dist 9.2254 6.8285 13.7178 5.80433 11.9365 4.84512 numMergedOcc 0
10 mol 187 unq 0 iso 0 dist 5.58167 6.56642 6.47437 7.9625 10.7843 12.4673 numMergedOcc 0
11 mol 187 unq 0 iso 1 dist 5.58167 7.9625 10.7843 6.56642 6.47437 12.4673 numMergedOcc 0
12 mol 187 unq 1 iso 0 dist 8.0501 6.56642 7.95559 7.9625 9.27977 12.4673 numMergedOcc 0
13 mol 187 unq 1 iso 1 dist 8.0501 7.9625 9.27977 6.56642 7.95559 12.4673 numMergedOcc 0
14 mol 228 unq 0 iso 0 dist 9.9685 7.95486 13.9493 4.42593 7.98833 8.22089 numMergedOcc 0
15 mol 228 unq 0 iso 1 dist 9.9685 4.42593 7.98833 7.95486 13.9493 8.22089 numMergedOcc 0
16 mol 228 unq 1 iso 0 dist 9.9685 7.95486 13.9493 7.33564 5.16211 9.05292 numMergedOcc 0
17 mol 228 unq 1 iso 1 dist 9.9685 7.33564 5.16211 7.95486 13.9493 9.05292 numMergedOcc 0
18 mol 228 unq 1 iso 0 dist 9.9685 4.42593 7.98833 7.33564 5.16211 4.63957 numMergedOcc 0
19 mol 228 unq 1 iso 1 dist 9.9685 7.33564 5.16211 4.42593 7.98833 4.63957 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 4.71683 5.77356 4.71339 9.24309 11.3543 7.88539 numMergedOcc 0
21 mol 236 unq 0 iso 1 dist 4.71683 9.24309 11.3543 5.77356 4.71339 7.88539 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 8.8646 5.45375 8.73313 9.9145 13.3737 6.89348 numMergedOcc 0
23 mol 266 unq 0 iso 1 dist 8.8646 9.9145 13.3737 5.45375 8.73313 6.89348 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 5.78262 6.59786 8.67797 7.96519 13.2599 7.54268 numMergedOcc 0
25 mol 273 unq 0 iso 1 dist 5.78262 7.96519 13.2599 6.59786 8.67797 7.54268 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 7.6489 6.59786 9.47855 7.96519 10.9195 7.54268 numMergedOcc 0
27 mol 273 unq 1 iso 1 dist 7.6489 7.96519 10.9195 6.59786 9.47855 7.54268 numMergedOcc 0
28 mol 293 unq 0 iso 0 dist 4.72125 5.50284 5.86908 8.88355 10.4612 7.08365 numMergedOcc 0
29 mol 293 unq 0 iso 1 dist 4.72125 8.88355 10.4612 5.50284 5.86908 7.08365 numMergedOcc 0
