0 mol 16 unq 0 iso 0 dist 5.84479 6.53177 7.63133 5.35079 6.31718 10.8455 11.5401 10.454 6.56335 15.6697 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 5.78238 5.97304 6.60423 9.0934 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 14.445 6.20293 8.13395 15.1191 9.06158 9.93832 8.60739 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 10.323 8.80331 8.13395 15.1191 9.06158 8.60739 9.93832 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 5.2774 6.19304 5.4148 13.0088 8.26458 7.04044 8.73253 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.89722 10.4716 9.96396 13.9156 8.70481 14.9342 13.0088 8.26458 7.04044 10.3244 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.89722 5.2774 6.19304 10.4716 9.96396 5.4148 13.0088 8.26458 8.73253 7.04044 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 13.9156 8.70481 13.3558 13.0088 8.26458 8.73253 10.3244 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 6.89722 13.9156 8.70481 10.4716 9.96396 14.9342 20.6347 14.8866 8.85586 16.8706 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 6.89722 13.9156 8.70481 10.4716 9.96396 14.9342 14.6904 8.05119 7.11 12.4407 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 6.89722 13.9156 8.70481 5.2774 6.19304 13.3558 20.6347 14.8866 8.85586 18.0011 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 6.89722 13.9156 8.70481 5.2774 6.19304 13.3558 14.6904 8.05119 7.11 12.0613 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 7.26679 8.31041 9.96396 5.44275 6.19304 5.4148 10.5067 8.26458 7.04044 8.73253 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 7.26679 8.31041 9.96396 11.2674 8.70481 14.9342 10.5067 8.26458 7.04044 10.3244 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 7.26679 5.44275 6.19304 8.31041 9.96396 5.4148 10.5067 8.26458 8.73253 7.04044 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 7.26679 5.44275 6.19304 11.2674 8.70481 13.3558 10.5067 8.26458 8.73253 10.3244 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 7.26679 11.2674 8.70481 8.31041 9.96396 14.9342 17.0516 14.8866 8.85586 16.8706 numMergedOcc 0
17 mol 73 unq 13 iso 0 dist 7.26679 11.2674 8.70481 8.31041 9.96396 14.9342 12.9368 8.05119 7.11 12.4407 numMergedOcc 0
18 mol 73 unq 14 iso 0 dist 7.26679 11.2674 8.70481 5.44275 6.19304 13.3558 17.0516 14.8866 8.85586 18.0011 numMergedOcc 0
19 mol 73 unq 15 iso 0 dist 7.26679 11.2674 8.70481 5.44275 6.19304 13.3558 12.9368 8.05119 7.11 12.0613 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 6.38057 7.45389 7.05226 18.7293 17.3924 9.92283 14.242 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 6.85381 12.5148 9.60462 6.38057 7.45389 7.05226 9.54846 3.98564 7.23962 7.30204 numMergedOcc 0
22 mol 112 unq 2 iso 0 dist 6.85381 6.38057 7.45389 12.5148 9.60462 7.05226 9.54846 3.98564 7.30204 7.23962 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 13.9994 6.70283 7.65448 14.8536 9.35627 9.77552 8.28642 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 9.10619 9.66339 8.56324 14.2552 7.16148 10.6875 14.8536 9.35627 9.77552 13.1536 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 9.10619 13.9994 6.70283 9.66339 8.56324 7.65448 14.8536 9.35627 8.28642 9.77552 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 9.10619 13.9994 6.70283 14.2552 7.16148 5.49936 14.8536 9.35627 8.28642 13.1536 numMergedOcc 0
27 mol 152 unq 4 iso 0 dist 9.74498 10.7816 8.67331 7.26476 8.05741 5.49936 17.5431 11.2078 8.28642 13.1536 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 4.28891 7.54212 6.8425 12.5498 6.42798 7.862 12.5287 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 13.4281 11.0628 8.38865 12.9778 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 13.4281 11.0628 8.38865 5.4694 numMergedOcc 0
31 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 13.4281 11.0628 8.38865 13.9676 numMergedOcc 0
32 mol 227 unq 3 iso 0 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 13.4281 11.0628 8.38865 16.9219 numMergedOcc 0
33 mol 227 unq 4 iso 0 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 13.4281 11.0628 5.4694 12.9778 numMergedOcc 0
34 mol 227 unq 5 iso 0 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 13.4281 11.0628 5.4694 8.38865 numMergedOcc 0
35 mol 227 unq 6 iso 0 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 13.4281 11.0628 5.4694 13.9676 numMergedOcc 0
36 mol 227 unq 7 iso 0 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 13.4281 11.0628 5.4694 16.9219 numMergedOcc 0
37 mol 227 unq 8 iso 0 dist 9.17826 11.4528 7.55216 16.2594 9.34734 9.51866 14.5658 10.6244 5.87815 13.9889 numMergedOcc 0
38 mol 227 unq 9 iso 0 dist 9.17826 11.4528 7.55216 14.9329 7.22101 12.4689 14.5658 10.6244 5.87815 16.0894 numMergedOcc 0
39 mol 227 unq 10 iso 0 dist 9.17826 11.4528 7.55216 13.2783 8.65997 12.9332 14.5658 10.6244 5.87815 17.8603 numMergedOcc 0
40 mol 227 unq 11 iso 0 dist 9.17826 11.4528 7.55216 10.6504 7.56888 4.48529 14.5658 10.6244 5.87815 10.3595 numMergedOcc 0
41 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 6.16697 9.45496 5.88703 4.7359 5.63086 8.24186 7.5366 numMergedOcc 0
42 mol 234 unq 1 iso 0 dist 5.89084 6.16697 9.45496 4.74041 6.56247 5.88703 4.7359 5.63086 7.5366 8.24186 numMergedOcc 0
43 mol 234 unq 2 iso 0 dist 8.47009 4.74041 9.36357 6.16697 6.7625 5.88703 4.7359 5.6819 8.24186 7.5366 numMergedOcc 0
44 mol 234 unq 3 iso 0 dist 8.47009 6.16697 6.7625 4.74041 9.36357 5.88703 4.7359 5.6819 7.5366 8.24186 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 8.71859 4.53213 7.69895 6.33032 7.21521 5.55137 8.46518 5.99459 6.17052 9.77666 numMergedOcc 0
46 mol 248 unq 1 iso 0 dist 8.71859 4.53213 7.69895 11.762 8.2965 10.8081 8.46518 5.99459 6.17052 13.0539 numMergedOcc 0
47 mol 248 unq 2 iso 0 dist 8.71859 6.33032 7.21521 4.53213 7.69895 5.55137 8.46518 5.99459 9.77666 6.17052 numMergedOcc 0
48 mol 248 unq 3 iso 0 dist 8.71859 6.33032 7.21521 11.762 8.2965 5.86196 8.46518 5.99459 9.77666 13.0539 numMergedOcc 0
49 mol 252 unq 0 iso 0 dist 9.73021 5.26867 7.19638 16.5881 8.33025 14.9102 6.88874 5.25252 6.86945 12.322 numMergedOcc 0
50 mol 252 unq 1 iso 0 dist 9.73021 5.26867 7.19638 12.5855 9.2288 11.7918 6.88874 5.25252 6.86945 12.2615 numMergedOcc 0
51 mol 258 unq 0 iso 0 dist 8.58088 10.221 6.60405 9.22664 6.42289 7.26417 14.7484 7.42673 6.70815 7.99477 numMergedOcc 0
52 mol 258 unq 1 iso 0 dist 8.58088 9.22664 6.42289 10.221 6.60405 7.26417 14.7484 7.42673 7.99477 6.70815 numMergedOcc 0
53 mol 258 unq 2 iso 0 dist 8.58088 9.22664 6.42289 10.221 6.60405 7.26417 13.7217 6.44209 7.86627 11.184 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 9.58006 11.8501 7.46176 5.71237 7.88519 6.96053 11.5672 5.60748 8.55558 10.5803 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 9.58006 11.8501 7.46176 9.10984 7.84554 7.64658 11.5672 5.60748 8.55558 12.4037 numMergedOcc 0
56 mol 259 unq 2 iso 0 dist 9.58006 11.8501 7.46176 13.9868 9.18903 10.5239 11.5672 5.60748 8.55558 14.4498 numMergedOcc 0
57 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 6.72149 8.46116 8.12676 5.7564 4.86504 9.64269 8.46061 numMergedOcc 0
58 mol 272 unq 1 iso 0 dist 9.1118 6.72149 8.46116 11.082 9.97651 8.12676 5.7564 4.86504 8.46061 9.64269 numMergedOcc 0
