0 mol 9 unq 0 iso 0 dist 6.59455 4.74921 3.91893 13.7528 7.35972 11.0186 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.69752 9.41655 7.02381 11.9395 8.00171 11.4816 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.69752 6.803 7.18485 11.9395 8.00171 12.7944 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.2004 5.02954 4.11146 7.72688 8.00171 10.0586 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.2004 5.02954 4.11146 4.82556 5.95834 5.9372 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.2004 5.02954 4.11146 6.25108 4.2121 6.93597 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.2004 5.02954 4.11146 11.8207 6.72323 10.716 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 4.90592 9.65174 9.63925 10.0715 6.72323 14.8722 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 9.36461 9.41655 14.1137 11.9395 6.72323 11.4816 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 9.36461 6.803 13.4584 11.9395 6.72323 12.7944 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 9.5053 9.41425 8.58071 5.66783 6.56527 11.4138 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 7.59316 5.54554 8.98812 4.16161 8.29857 6.13153 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 7.59316 6.84514 3.50984 4.16161 8.29857 5.7836 numMergedOcc 0
13 mol 48 unq 2 iso 0 dist 7.59316 8.95402 12.69 4.16161 8.29857 5.89173 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 7.51285 5.5232 9.01489 4.20245 8.19993 5.8541 numMergedOcc 0
15 mol 48 unq 4 iso 0 dist 7.51285 7.05619 3.65036 4.20245 8.19993 5.82264 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 4.65127 6.46718 3.99942 4.82351 8.97364 10.7867 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 8.70863 5.72961 11.5785 8.31077 9.66222 12.394 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 7.42482 6.4569 3.67473 8.66057 8.42878 10.9536 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 5.39061 4.48699 4.94367 5.67023 5.87084 8.47526 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 9.78667 8.88454 3.80087 8.69924 9.83945 9.59109 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 8.47026 9.48581 3.80087 9.33878 9.83945 9.59109 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 6.73983 8.88454 3.80763 8.69924 6.75376 9.59109 numMergedOcc 0
23 mol 141 unq 3 iso 0 dist 8.6387 9.48581 3.80763 9.33878 6.75376 9.59109 numMergedOcc 0
24 mol 141 unq 4 iso 0 dist 7.64956 8.88454 9.98068 8.69924 9.10042 9.59109 numMergedOcc 0
25 mol 141 unq 5 iso 0 dist 7.64956 8.88454 9.98068 9.41497 9.75059 13.5458 numMergedOcc 0
26 mol 141 unq 6 iso 0 dist 7.64956 8.88454 9.98068 9.53115 6.83404 15.8537 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 7.46845 5.22104 5.64188 12.4049 8.21184 9.63874 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 7.46845 5.22104 5.64188 11.7015 5.9976 10.5534 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 5.45675 8.46395 5.39534 5.81211 6.21159 5.25762 numMergedOcc 0
30 mol 193 unq 0 iso 0 dist 9.41624 7.06636 6.18551 7.58433 9.40801 11.7052 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 6.37788 5.13892 3.7326 8.43261 6.1886 8.13022 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 6.37788 5.78717 7.29209 8.43261 6.1886 9.82667 numMergedOcc 0
33 mol 194 unq 2 iso 0 dist 8.7028 8.2232 3.7326 13.8424 6.1886 8.13022 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 6.51288 5.37154 5.32823 3.95218 9.73541 9.07881 numMergedOcc 0
35 mol 237 unq 0 iso 0 dist 5.06628 8.96803 12.5736 5.90415 8.10254 12.0818 numMergedOcc 0
36 mol 237 unq 1 iso 0 dist 5.06628 7.95072 3.68966 5.90415 8.10254 10.2985 numMergedOcc 0
37 mol 256 unq 0 iso 0 dist 9.66027 8.72093 3.70808 7.29258 4.98734 6.63831 numMergedOcc 0
38 mol 256 unq 1 iso 0 dist 9.66027 8.72093 3.70808 11.299 6.37963 8.08629 numMergedOcc 0
39 mol 256 unq 2 iso 0 dist 9.66027 8.72093 3.70808 6.85417 8.16803 9.03979 numMergedOcc 0
40 mol 260 unq 0 iso 0 dist 7.99521 4.64695 7.28821 5.52447 9.32954 9.24869 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 7.85414 8.78893 12.1127 5.43373 8.20644 6.23115 numMergedOcc 0
