0 mol 32 unq 0 iso 0 dist 9.5209 6.00133 7.18766 9.26879 7.11053 5.19476 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 9.5209 14.8037 7.48825 9.26879 7.11053 8.73368 numMergedOcc 0
2 mol 32 unq 2 iso 0 dist 8.9881 5.43575 7.18766 7.64485 7.11053 5.19476 numMergedOcc 0
3 mol 32 unq 3 iso 0 dist 8.9881 6.6949 7.48825 7.64485 7.11053 8.73368 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.4815 9.12499 8.55901 10.4158 5.91068 4.22398 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 5.77643 7.02939 8.55901 8.87768 8.38156 10.4688 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 5.77643 7.02939 8.55901 4.71262 7.79336 10.3961 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 5.77643 7.02939 8.55901 4.28439 7.08559 7.52709 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 5.77643 6.08327 9.03412 8.87768 8.38156 5.60198 numMergedOcc 0
9 mol 34 unq 5 iso 0 dist 5.77643 6.08327 9.03412 4.71262 7.79336 9.85481 numMergedOcc 0
10 mol 34 unq 6 iso 0 dist 5.77643 6.08327 9.03412 4.28439 7.08559 10.3431 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 8.23418 5.37722 8.59109 9.1673 5.81001 11.9463 numMergedOcc 0
12 mol 45 unq 1 iso 0 dist 8.23418 12.8536 8.13782 9.1673 5.81001 4.51883 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.33375 6.15672 6.4218 9.88169 5.73203 5.58312 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.33375 6.15672 6.4218 11.8593 6.57379 9.61537 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 7.06919 6.77092 4.79852 5.74987 9.76114 9.433 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 7.03719 9.03624 6.33838 4.0847 5.79911 5.4245 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 8.80672 4.22625 5.89018 10.7662 5.3819 9.11693 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 8.6925 9.26051 8.74171 6.49084 5.461 7.09198 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.94219 4.42378 8.75834 12.3965 5.93063 11.3004 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 8.94219 13.2284 9.36396 12.3965 5.93063 11.0634 numMergedOcc 0
21 mol 225 unq 2 iso 0 dist 7.21089 15.3506 8.75834 15.3114 8.91356 3.92979 numMergedOcc 0
22 mol 225 unq 3 iso 0 dist 7.21089 15.3506 8.75834 11.6782 9.57455 9.35263 numMergedOcc 0
23 mol 225 unq 4 iso 0 dist 7.21089 4.47442 7.51827 15.3114 8.91356 13.317 numMergedOcc 0
24 mol 225 unq 5 iso 0 dist 7.21089 4.47442 7.51827 11.6782 9.57455 8.90754 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 7.40764 10.0636 9.2911 5.47357 8.24424 9.35904 numMergedOcc 0
26 mol 233 unq 1 iso 0 dist 7.40764 10.0636 9.2911 5.47592 7.0942 5.88701 numMergedOcc 0
27 mol 233 unq 2 iso 0 dist 7.40764 10.0636 9.2911 3.67394 6.01775 9.59241 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 6.553 12.2893 8.49841 4.84686 9.11572 11.8229 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.13022 12.618 6.5772 5.6469 7.39547 9.79637 numMergedOcc 0
