0 mol 4 unq 0 iso 0 dist 7.00324 5.44672 5.58487 5.09826 7.35416 5.70412 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.17764 12.0561 8.60435 5.1316 6.14469 12.4861 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.57901 10.5858 5.40169 5.02729 5.59965 9.61828 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.69823 10.1041 7.51285 12.6813 8.19993 4.20245 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.69823 3.92795 8.86698 12.6813 8.19993 14.2174 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 8.6492 6.30425 4.65127 6.90833 8.97364 4.82351 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.27321 9.45647 8.91427 11.3732 6.74766 7.53895 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 5.20528 11.5334 8.70863 12.9555 9.66222 8.31077 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.21813 10.7165 8.43352 6.3915 7.36769 8.02554 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.21813 10.7165 8.43352 5.081 6.88901 11.2092 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 7.89276 8.40294 8.43352 11.0602 7.36769 8.02554 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 7.89276 8.40294 8.43352 14.1992 6.88901 11.2092 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.86487 13.2927 9.77017 11.57 7.80873 7.22444 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 9.63085 11.016 5.39061 7.37795 5.87084 5.67023 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.29665 11.1226 7.82544 5.5502 6.84835 5.61022 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.29665 11.1226 7.82544 8.24649 8.42748 12.8357 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 9.29665 8.01896 6.18808 5.5502 6.84835 5.71483 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 9.29665 8.01896 6.18808 8.24649 8.42748 5.83691 numMergedOcc 0
18 mol 133 unq 4 iso 0 dist 5.08086 11.5035 7.82544 9.91819 6.84835 5.61022 numMergedOcc 0
19 mol 133 unq 5 iso 0 dist 5.08086 11.5035 7.82544 5.16948 8.42748 12.8357 numMergedOcc 0
20 mol 133 unq 6 iso 0 dist 5.08086 6.29102 6.18808 9.91819 6.84835 5.71483 numMergedOcc 0
21 mol 133 unq 7 iso 0 dist 5.08086 6.29102 6.18808 5.16948 8.42748 5.83691 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 7.85849 17.112 9.30061 6.64576 6.40575 14.2253 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 6.08299 9.75179 9.30061 5.87436 6.40575 14.2253 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 6.10556 4.86119 4.46777 4.96213 6.83404 5.38571 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 5.42285 7.66951 7.46845 13.6106 8.21184 12.4049 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 5.42285 7.66951 7.46845 10.3208 5.9976 11.7015 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.76308 7.72772 5.45675 9.75326 6.21159 5.81211 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 5.58036 11.4701 8.89892 10.8477 6.33496 4.55079 numMergedOcc 0
29 mol 256 unq 1 iso 0 dist 5.58036 11.4701 8.89892 9.95403 6.00636 7.29918 numMergedOcc 0
30 mol 256 unq 2 iso 0 dist 5.58036 11.4701 8.89892 7.21464 7.81448 8.66399 numMergedOcc 0
31 mol 256 unq 3 iso 0 dist 5.58036 11.4701 8.89892 10.4702 8.54499 6.4708 numMergedOcc 0
32 mol 260 unq 0 iso 0 dist 4.76698 12.1177 7.99521 11.9795 9.32954 5.52447 numMergedOcc 0
33 mol 265 unq 0 iso 0 dist 7.87337 9.04612 8.85062 4.80754 8.984 5.37186 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 6.74022 12.9095 8.2997 8.85159 6.88827 5.36428 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 6.74022 12.9095 8.2997 9.16187 9.16942 14.986 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 6.71956 6.63088 7.85414 7.01915 8.20644 5.43373 numMergedOcc 0
