0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.28925 10.6847 7.58143 9.87885 12.8323 7.92429 5.35168 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 8.70159 4.87279 8.50789 6.1206 7.12508 4.40641 5.35168 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 7.31201 10.789 8.70159 4.87279 8.50789 7.67927 11.143 5.03278 10.1219 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.36807 10.515 8.70159 4.87279 7.58143 6.1206 7.12508 7.92429 5.35168 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 9.36807 10.515 8.70159 4.87279 7.58143 7.67927 11.143 11.2233 10.1219 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 8.96978 8.39969 6.33215 7.12321 4.27726 9.88768 6.82436 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 8.96978 4.45372 6.33215 7.12321 7.47371 9.88768 6.82436 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.33919 15.9091 13.2106 9.73086 17.4121 6.15714 10.4668 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 9.33919 7.9151 13.2106 9.73086 5.70116 6.15714 10.4668 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 9.79143 7.9151 13.2106 8.68662 6.20232 6.10063 12.8099 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 9.79143 7.9151 13.2106 7.4369 5.70116 6.15714 10.4668 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 9.75218 8.70133 15.9882 9.33919 5.44172 13.2106 9.73086 14.844 6.15714 10.4668 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 9.5497 7.79359 9.68893 6.81209 7.71512 7.20037 7.90423 6.98209 9.49725 11.0058 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 6.066 6.81076 7.39092 7.80898 12.1193 7.15936 6.29943 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 6.066 6.81076 8.30564 7.80898 12.1193 10.8763 6.29943 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 8.2236 10.0324 6.37061 6.10127 6.57678 6.95589 3.96477 numMergedOcc 0
16 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 8.2236 11.1062 6.37061 6.10127 10.5783 6.95589 3.96477 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 7.19937 10.8443 6.73645 6.89918 12.9631 6.545 3.92897 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 8.47008 7.45927 5.3049 6.64173 6.8757 4.48306 7.11838 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 8.47008 7.45927 5.3049 9.01624 5.71898 12.2513 8.25265 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 8.47008 7.45927 5.3049 9.55105 5.83796 10.2172 5.42919 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 8.47008 7.45927 10.8044 6.64173 6.8757 4.88823 7.11838 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 7.81386 7.37327 11.1462 8.47008 7.45927 10.8044 9.01624 5.71898 14.8923 8.25265 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 7.81386 7.37327 11.1462 8.47008 7.45927 10.8044 9.55105 5.83796 14.2334 5.42919 numMergedOcc 0
24 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 8.47008 5.83639 5.3049 6.64173 10.6474 4.48306 7.11838 numMergedOcc 0
25 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 8.47008 5.83639 5.3049 9.01624 5.93724 12.2513 8.25265 numMergedOcc 0
26 mol 181 unq 8 iso 0 dist 7.63312 7.98142 9.60512 8.47008 5.83639 5.3049 9.55105 5.12833 10.2172 5.42919 numMergedOcc 0
27 mol 181 unq 9 iso 0 dist 7.63312 7.37327 13.3389 8.47008 5.83639 10.8044 6.64173 10.6474 4.88823 7.11838 numMergedOcc 0
28 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 8.47008 5.83639 10.8044 9.01624 5.93724 14.8923 8.25265 numMergedOcc 0
29 mol 181 unq 11 iso 0 dist 7.63312 7.37327 13.3389 8.47008 5.83639 10.8044 9.55105 5.12833 14.2334 5.42919 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 6.52987 4.92241 11.6274 6.52816 9.49403 13.4094 11.2311 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 6.52987 7.36565 11.6274 6.52816 13.514 13.4094 11.2311 numMergedOcc 0
32 mol 205 unq 2 iso 0 dist 7.80463 9.19704 13.231 6.52987 10.9417 11.6274 6.52816 3.56269 13.4094 11.2311 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 6.35438 8.83842 10.0213 7.81215 12.4252 11.8229 4.76962 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 9.45496 7.85175 11.216 6.35438 8.83842 6.81789 7.81215 12.4252 10.5304 4.76962 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 6.7625 9.5707 14.4106 6.35438 5.43327 10.0213 7.81215 5.75498 11.8229 4.76962 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 6.7625 7.85175 11.4315 6.35438 5.43327 6.81789 7.81215 5.75498 10.5304 4.76962 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 7.64122 10.1317 5.15985 9.63573 7.20604 9.98303 5.82108 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 7.64122 10.1317 5.15985 7.66153 8.8603 14.0829 11.464 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 7.64122 8.53114 5.15985 9.63573 5.05362 9.98303 5.82108 numMergedOcc 0
40 mol 259 unq 3 iso 0 dist 7.84554 7.48005 11.8736 7.64122 8.53114 5.15985 7.66153 5.8801 14.0829 11.464 numMergedOcc 0
41 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 7.64122 4.63899 5.15985 9.63573 5.21606 9.98303 5.82108 numMergedOcc 0
42 mol 259 unq 5 iso 0 dist 7.46176 7.48005 5.79468 7.64122 4.63899 5.15985 7.66153 11.8896 14.0829 11.464 numMergedOcc 0
43 mol 259 unq 6 iso 0 dist 9.18903 7.48005 12.6649 7.64122 8.41812 5.15985 9.63573 7.46841 9.98303 5.82108 numMergedOcc 0
44 mol 259 unq 7 iso 0 dist 9.18903 7.48005 12.6649 7.64122 8.41812 5.15985 7.66153 5.81576 14.0829 11.464 numMergedOcc 0
