0 mol 53 unq 0 iso 0 dist 7.72123 7.13301 8.79235 10.3763 10.7201 7.28228 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.95021 3.73561 6.88243 9.92438 5.46061 8.66539 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.95021 3.73561 6.88243 7.66055 7.93761 5.38524 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 6.95021 3.73561 6.88243 11.2215 13.2851 8.69057 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.41313 15.0948 7.69222 14.9435 6.97502 6.45841 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.41313 14.5973 5.82056 12.992 4.30874 5.5087 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.41313 14.5973 5.82056 14.9435 6.97502 5.61588 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 9.41313 18.4582 9.09115 12.992 4.30874 6.08682 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 9.41313 18.4582 9.09115 14.9435 6.97502 7.83244 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 7.09464 5.7326 9.76849 8.25679 6.06775 7.51139 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 7.09464 5.7326 9.76849 12.8811 14.7449 7.80898 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.47394 13.4088 8.23073 15.8386 7.95165 8.27883 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.47394 13.4088 8.23073 15.8148 6.67589 7.7152 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 9.18095 3.94084 5.99965 12.1542 6.36989 9.11586 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.49761 8.3164 8.33185 7.55822 6.57937 8.28795 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 7.28273 10.0627 9.31543 10.3524 4.80675 6.69691 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 7.28273 11.8027 8.85652 10.3524 4.80675 5.51197 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 5.52837 4.78213 8.62632 10.31 11.6877 6.89918 numMergedOcc 0
18 mol 132 unq 1 iso 0 dist 5.52837 4.78213 8.62632 11.4629 11.8999 7.89457 numMergedOcc 0
19 mol 146 unq 0 iso 0 dist 6.70014 3.75935 5.50187 7.24965 12.8565 9.04757 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 9.37214 4.77116 9.63224 6.44896 6.34098 9.78634 numMergedOcc 0
21 mol 192 unq 1 iso 0 dist 9.37214 4.65378 6.98794 6.44896 6.34098 5.64942 numMergedOcc 0
22 mol 192 unq 2 iso 0 dist 9.37214 4.65378 6.98794 9.74252 9.57246 6.97962 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 7.73217 4.66779 8.07576 12.7237 9.52592 9.82601 numMergedOcc 0
24 mol 251 unq 1 iso 0 dist 7.73217 4.66779 8.07576 10.1339 7.54315 6.50357 numMergedOcc 0
25 mol 255 unq 0 iso 0 dist 5.84157 4.04928 7.58813 9.70317 9.02294 6.87333 numMergedOcc 0
26 mol 255 unq 1 iso 0 dist 5.84157 4.04928 7.58813 9.35965 4.15604 9.86207 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.60676 9.85019 7.4869 12.5446 6.07005 6.02353 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 7.60676 9.85019 7.4869 12.4467 7.38048 6.86234 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.91689 9.68077 7.32002 17.1305 10.9431 9.74118 numMergedOcc 0
