0 mol 14 unq 0 iso 0 dist 8.60571 11.3111 9.04767 7.12085 9.7022 5.67201 17.7985 10.6873 9.58855 14.3883 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 8.60571 11.3111 9.04767 10.9516 9.58196 4.53725 17.7985 10.6873 9.58855 10.3349 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 13.7923 5.97304 6.60423 9.0934 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 5.26018 10.3287 7.34143 12.8491 9.80098 9.162 11.7647 8.9759 9.9052 16.7829 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 7.1203 6.03647 7.34143 5.92851 9.80098 9.162 11.5664 8.9759 9.9052 16.7829 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 16.145 10.121 7.33422 12.3486 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 16.145 10.121 7.33422 14.9249 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 13.7941 14.9392 9.00544 17.8663 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 12.3707 12.6602 7.12017 12.6061 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 13.7941 14.9392 9.00544 20.2183 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 12.3707 12.6602 7.12017 18.4011 numMergedOcc 0
11 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 13.7941 14.9392 9.00544 22.6977 numMergedOcc 0
12 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 12.3707 12.6602 7.12017 17.8494 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.97043 5.19652 6.11741 11.8721 9.33865 8.02349 9.73461 6.08806 5.74857 10.9766 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 5.16275 9.61051 9.05135 12.3218 6.67948 8.03372 15.3413 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 5.50176 5.31024 5.32922 13.971 12.6057 9.17106 12.432 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 14.0828 8.03334 13.2049 11.4129 13.8722 6.51749 15.2991 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.16813 8.61343 7.54065 5.87924 9.70748 13.8792 13.0447 8.90184 7.20574 18.0414 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 5.16813 8.61343 7.54065 11.0854 8.87694 5.74635 13.0447 8.90184 7.20574 6.85302 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 5.16813 11.0854 8.87694 8.61343 7.54065 5.74635 13.0447 8.90184 6.85302 7.20574 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 5.16813 11.0854 8.87694 8.61343 7.54065 5.74635 17.4935 12.8303 9.98215 13.6209 numMergedOcc 0
21 mol 186 unq 4 iso 0 dist 5.16813 11.0854 8.87694 5.87924 9.70748 14.9058 13.0447 8.90184 6.85302 18.0414 numMergedOcc 0
22 mol 186 unq 5 iso 0 dist 5.16813 11.0854 8.87694 5.87924 9.70748 14.9058 17.4935 12.8303 9.98215 20.9635 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 13.5057 10.5813 8.03442 12.2278 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 5.00457 5.65373 7.03423 6.23084 9.06952 6.84129 11.5087 9.62106 8.92743 9.45972 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 9.76823 8.33025 6.0987 11.6409 9.32326 6.11473 10.7615 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 7.93609 7.59919 8.1148 9.76823 8.33025 6.0987 6.97105 5.89666 8.47784 12.0482 numMergedOcc 0
27 mol 252 unq 2 iso 0 dist 7.93609 7.59919 8.1148 9.76823 8.33025 6.0987 13.8364 11.056 6.53679 7.50201 numMergedOcc 0
28 mol 252 unq 3 iso 0 dist 7.93609 9.76823 8.33025 7.59919 8.1148 6.0987 13.8364 11.056 7.50201 6.53679 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.9706 5.70285 6.60405 6.50871 6.42289 7.26417 11.064 7.42673 6.70815 7.99477 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.9706 6.50871 6.42289 5.70285 6.60405 7.26417 11.064 7.42673 7.99477 6.70815 numMergedOcc 0
31 mol 258 unq 2 iso 0 dist 8.9706 6.50871 6.42289 5.70285 6.60405 7.26417 13.4756 6.44209 7.86627 11.184 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 6.82526 10.9571 9.14619 10.3274 8.45658 7.00201 10.7186 6.04016 5.26434 8.60026 numMergedOcc 0
33 mol 261 unq 1 iso 0 dist 6.82526 10.3274 8.45658 10.9571 9.14619 7.00201 10.7186 6.04016 8.60026 5.26434 numMergedOcc 0
34 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 10.4451 8.46116 8.12676 4.80092 4.86504 9.64269 8.46061 numMergedOcc 0
35 mol 272 unq 1 iso 0 dist 7.31993 10.4451 8.46116 7.33684 9.97651 8.12676 4.80092 4.86504 8.46061 9.64269 numMergedOcc 0
