0 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 5.48395 6.31718 6.92781 12.5063 6.88552 9.30471 12.8949 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 5.29688 6.85766 10.0246 19.3836 13.0222 9.83775 18.0681 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 5.28901 7.30858 10.8507 5.73946 4.75197 7.9258 9.26923 numMergedOcc 0
3 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 11.0268 7.88312 8.02349 5.73946 4.75197 7.9258 12.4685 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 8.61575 9.61051 9.05135 5.16531 6.13737 8.59695 11.3703 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 8.61575 9.61051 9.05135 11.3549 5.12351 6.42706 12.0652 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 4.64588 6.80239 7.81217 15.5644 9.74121 8.97762 15.4305 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 5.82404 10.2385 6.29155 5.37072 8.00618 11.965 15.5644 9.74121 8.97762 16.5229 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 5.82404 5.37072 8.00618 10.2385 6.29155 11.965 9.73038 9.67676 9.47554 15.8406 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 5.82404 5.37072 8.00618 4.64588 6.80239 7.79672 9.73038 9.67676 9.47554 13.9771 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 5.86531 6.26797 7.11802 9.73435 8.00618 8.18495 12.4361 11.0256 9.1146 15.6213 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 12.9554 7.63312 8.85576 9.76194 10.8374 7.7544 11.1074 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 4.6995 6.03031 7.38516 9.65143 5.04299 7.51951 9.80543 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 5.87892 7.80463 13.8543 9.65143 5.04299 7.51951 12.4766 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 5.72088 6.57273 4.70378 15.8383 12.8561 7.49783 11.5265 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 6.51315 5.78342 11.5372 15.8383 12.8561 7.49783 14.8623 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 8.6537 10.7439 7.03423 8.65216 8.22528 5.57838 16.6013 9.15968 8.83023 10.7513 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 10.752 13.7246 7.87233 9.13551 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 9.05929 4.32403 8.04248 4.38595 8.35971 7.43758 10.752 7.41812 9.44496 9.13551 numMergedOcc 0
19 mol 236 unq 2 iso 0 dist 8.90987 3.82437 6.84306 5.26654 8.03456 5.79505 8.39553 5.03564 6.61371 10.4172 numMergedOcc 0
20 mol 236 unq 3 iso 0 dist 8.90987 3.82437 6.84306 13.8124 9.99038 11.3368 8.39553 5.03564 6.61371 14.1598 numMergedOcc 0
21 mol 236 unq 4 iso 0 dist 8.90987 3.82437 6.84306 11.2846 9.78037 11.8739 8.39553 5.03564 6.61371 13.7045 numMergedOcc 0
22 mol 236 unq 5 iso 0 dist 8.90987 3.82437 6.84306 16.8883 8.35971 14.7998 8.39553 5.03564 6.61371 12.4813 numMergedOcc 0
23 mol 236 unq 6 iso 0 dist 8.90987 13.8124 9.99038 5.26654 8.03456 9.90963 14.6979 13.6195 5.90804 11.8908 numMergedOcc 0
24 mol 236 unq 7 iso 0 dist 8.90987 13.8124 9.99038 3.82437 6.84306 11.3368 14.6979 13.6195 5.90804 12.0498 numMergedOcc 0
25 mol 236 unq 8 iso 0 dist 8.90987 13.8124 9.99038 11.2846 9.78037 11.1557 14.6979 13.6195 5.90804 15.4854 numMergedOcc 0
26 mol 236 unq 9 iso 0 dist 8.90987 13.8124 9.99038 16.8883 8.35971 10.7497 14.6979 13.6195 5.90804 16.1665 numMergedOcc 0
27 mol 236 unq 10 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 9.51001 10.5269 7.87233 9.13551 numMergedOcc 0
28 mol 236 unq 11 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 12.9622 10.5269 7.87233 9.13551 numMergedOcc 0
