0 mol 24 unq 0 iso 0 dist 8.94703 6.40447 7.77964 6.11056 4.79736 8.09311 5.36722 11.2038 9.94429 6.72502 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 5.77745 5.23233 8.07318 8.6396 6.47509 6.55597 13.3963 12.8378 8.89681 6.6492 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 5.77745 6.29702 7.44277 8.40051 5.63212 4.79873 13.0772 12.3361 6.86525 6.90155 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.93171 7.2452 8.77529 7.20538 9.96534 9.03564 9.91757 15.4669 10.5332 6.77886 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.01601 11.4478 8.66724 10.3722 6.08003 6.56212 9.13337 7.17026 4.88345 8.64015 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.762 10.8441 8.46627 12.1964 6.41115 5.5087 13.4716 9.28577 5.50891 8.85586 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.762 10.8441 8.46627 12.1964 6.41115 5.5087 17.8772 11.9068 7.50869 7.11 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.762 10.8441 8.46627 8.67532 5.9144 5.61588 13.4716 9.28577 5.50891 5.16364 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.762 15.2203 9.22208 12.1964 6.41115 6.08682 13.4716 9.28577 4.75954 8.85586 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 9.762 15.2203 9.22208 12.1964 6.41115 6.08682 17.8772 11.9068 3.6807 7.11 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 9.762 15.2203 9.22208 8.67532 5.9144 7.83244 13.4716 9.28577 4.75954 5.16364 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.54368 6.58337 8.89015 13.8027 6.95017 9.33861 15.186 12.4442 10.2518 8.65802 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.46621 9.78374 9.09348 11.1103 5.00433 7.07971 14.7769 9.78192 6.8409 5.34214 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 9.94704 8.08642 9.09348 8.3164 5.00433 7.07971 10.9842 9.78192 6.8409 5.34214 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.78303 4.63732 8.62504 9.60369 4.46337 9.66543 4.02705 5.11043 4.935 7.36779 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.78303 4.63732 8.62504 9.55556 7.41373 7.21868 4.02705 5.11043 4.935 8.20836 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.26168 3.6848 8.5672 9.44405 10.8286 6.61112 11.5511 14.6369 8.58039 7.20574 numMergedOcc 0
17 mol 207 unq 0 iso 0 dist 6.50724 6.29106 4.76113 10.0544 4.56899 5.12567 9.92529 10.0653 5.34977 8.85547 numMergedOcc 0
18 mol 207 unq 1 iso 0 dist 6.50724 6.29106 4.76113 10.0544 4.56899 5.12567 8.626 8.78061 5.47626 7.96797 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 9.49163 12.7092 6.46405 15.7669 6.28241 8.14831 20.2446 11.3657 11.2847 6.6561 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 9.99149 11.662 6.46405 16.0039 6.28241 8.14831 20.9206 11.3657 11.2847 6.6561 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.79884 5.25298 6.09335 9.96308 4.1511 5.23634 7.06191 5.28771 7.3164 8.38865 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.79884 5.25298 6.09335 9.95674 4.69247 6.91318 7.06191 5.28771 7.3164 5.4694 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 6.96382 3.68226 4.66186 10.2894 10.4706 9.72188 15.2238 13.4758 13.0611 7.32982 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.13546 3.63202 9.78237 7.36905 5.71153 5.90924 5.7394 6.02757 7.36132 7.52281 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 9.13546 3.63202 9.78237 6.83408 6.56539 9.58916 5.7394 6.02757 7.36132 6.42588 numMergedOcc 0
26 mol 264 unq 2 iso 0 dist 8.7365 3.63202 9.95798 7.36905 6.87635 5.90924 5.7394 8.67231 7.36132 7.52281 numMergedOcc 0
27 mol 264 unq 3 iso 0 dist 8.7365 3.63202 9.95798 6.83408 4.76241 9.58916 5.7394 8.67231 7.36132 6.42588 numMergedOcc 0
28 mol 264 unq 4 iso 0 dist 7.19658 13.3131 9.78237 11.1873 5.71153 5.90924 6.63115 6.02757 7.36132 7.52281 numMergedOcc 0
29 mol 264 unq 5 iso 0 dist 7.19658 13.3131 9.78237 10.6712 6.56539 9.58916 6.63115 6.02757 7.36132 6.42588 numMergedOcc 0
