0 mol 14 unq 0 iso 0 dist 7.59564 6.24146 7.73217 6.30573 4.75873 9.04767 4.81121 10.9341 5.67201 9.7022 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.59564 6.24146 7.73217 6.30573 4.75873 9.04767 7.95811 9.95397 4.53725 9.58196 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 8.10957 4.81121 8.82819 6.30573 6.03847 9.7022 7.95811 5.36937 5.53425 9.58196 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 8.10957 4.81121 8.82819 6.30573 6.03847 9.7022 6.24146 5.99703 5.67201 9.04767 numMergedOcc 0
4 mol 14 unq 4 iso 0 dist 8.10957 7.95811 5.36937 6.30573 6.03847 9.58196 4.81121 8.82819 5.53425 9.7022 numMergedOcc 0
5 mol 14 unq 5 iso 0 dist 8.10957 7.95811 5.36937 6.30573 6.03847 9.58196 6.24146 5.99703 4.53725 9.04767 numMergedOcc 0
6 mol 14 unq 6 iso 0 dist 8.10957 6.24146 5.99703 6.30573 6.03847 9.04767 4.81121 8.82819 5.67201 9.7022 numMergedOcc 0
7 mol 14 unq 7 iso 0 dist 8.10957 6.24146 5.99703 6.30573 6.03847 9.04767 7.95811 5.36937 4.53725 9.58196 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 5.85737 6.88453 8.0319 13.0211 11.4109 6.86014 16.0093 15.5112 10.0952 8.86116 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 19.6842 13.1056 6.20293 18.1465 12.7352 5.06502 5.73819 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.84944 14.9082 8.03754 19.6842 13.1056 6.20293 13.4248 10.5813 6.45462 8.93915 numMergedOcc 0
11 mol 43 unq 2 iso 0 dist 7.21995 4.80528 8.03754 10.6604 13.1056 6.20293 7.29214 12.7352 5.06502 5.73819 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 7.21995 4.80528 8.03754 10.6604 13.1056 6.20293 6.03631 10.5813 6.45462 8.93915 numMergedOcc 0
13 mol 43 unq 4 iso 0 dist 7.32913 6.9067 9.47348 13.3384 9.92508 8.93915 12.3867 12.0317 5.89973 5.73819 numMergedOcc 0
14 mol 43 unq 5 iso 0 dist 7.32913 6.9067 9.47348 13.3384 9.92508 8.93915 12.0037 12.0919 6.45462 6.20293 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 9.33293 9.48465 7.9258 16.9836 10.9791 9.33865 14.7844 12.4685 8.02349 6.11741 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 9.33293 9.48465 7.9258 9.71126 4.75197 5.83991 7.81993 9.26923 10.8507 7.30858 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 9.33293 9.48465 7.9258 9.71126 4.75197 5.83991 14.7844 12.4685 8.02349 7.88312 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 9.52061 5.99695 8.59695 10.482 6.13737 5.83384 11.2246 11.3703 9.05135 9.61051 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 9.61101 6.29782 6.42706 10.514 5.12351 5.83384 8.07347 12.0652 9.05135 9.61051 numMergedOcc 0
20 mol 129 unq 2 iso 0 dist 7.6453 4.80675 8.00624 10.1938 15.4586 8.54584 5.57362 11.5175 4.61027 8.53613 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.8353 17.2988 9.47554 15.7117 9.67676 8.00618 20.8975 15.8406 11.965 6.29155 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 8.8353 17.2988 9.47554 15.7117 9.67676 8.00618 21.643 13.9771 7.79672 6.80239 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.65031 14.069 8.41774 19.3797 13.793 6.70283 17.6261 13.7313 5.42328 5.87555 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 9.65031 14.069 8.41774 19.3797 13.793 6.70283 13.432 12.3711 6.4896 8.67331 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 9.65031 14.069 8.41774 15.7694 11.2124 7.16148 17.6261 13.7313 5.42328 8.87437 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 9.65031 14.069 8.41774 15.7694 11.2124 7.16148 13.432 12.3711 6.4896 8.05741 numMergedOcc 0
27 mol 152 unq 4 iso 0 dist 8.51844 4.46956 8.41774 10.5594 13.793 6.70283 7.09604 13.7313 5.42328 5.87555 numMergedOcc 0
28 mol 152 unq 5 iso 0 dist 8.51844 4.46956 8.41774 10.5594 13.793 6.70283 5.74625 12.3711 6.4896 8.67331 numMergedOcc 0
29 mol 152 unq 6 iso 0 dist 8.51844 4.46956 8.41774 10.166 11.2124 7.16148 7.09604 13.7313 5.42328 8.87437 numMergedOcc 0
30 mol 152 unq 7 iso 0 dist 8.51844 4.46956 8.41774 10.166 11.2124 7.16148 5.74625 12.3711 6.4896 8.05741 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 8.8113 16.607 8.80858 13.6975 4.93626 6.60589 19.3745 10.8126 5.0744 6.57273 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 8.8113 16.607 8.80858 19.4037 11.8641 9.16166 19.3745 10.8126 5.0744 5.78342 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 8.8113 16.607 8.80858 19.4037 11.8641 9.16166 20.7199 13.3427 6.91102 5.81334 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 6.23677 6.87755 7.49783 12.2287 12.8561 8.95269 9.28732 11.5265 4.70378 6.57273 numMergedOcc 0
35 mol 224 unq 4 iso 0 dist 6.23677 6.87755 7.49783 12.2287 12.8561 8.95269 11.9963 14.8623 11.5372 5.78342 numMergedOcc 0
36 mol 224 unq 5 iso 0 dist 9.04741 12.3271 7.49783 16.6527 12.8561 8.95269 14.5624 11.5265 4.70378 6.57273 numMergedOcc 0
37 mol 224 unq 6 iso 0 dist 9.04741 12.3271 7.49783 16.6527 12.8561 8.95269 15.2616 14.8623 11.5372 5.78342 numMergedOcc 0
38 mol 224 unq 7 iso 0 dist 7.31608 11.0252 7.49783 12.7763 12.8561 8.95269 12.8423 11.5265 4.70378 6.57273 numMergedOcc 0
39 mol 224 unq 8 iso 0 dist 7.31608 11.0252 7.49783 12.7763 12.8561 8.95269 11.9015 14.8623 11.5372 5.78342 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 4.71683 5.52669 9.44496 6.73134 7.41812 8.04248 5.27568 9.13551 7.43758 8.35971 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 4.71683 7.77821 7.87233 12.96 15.6279 9.81562 5.27568 9.13551 7.28249 8.03456 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 4.71683 7.77821 7.87233 10.8312 13.7246 7.68742 5.27568 9.13551 7.28249 6.84306 numMergedOcc 0
43 mol 236 unq 3 iso 0 dist 4.71683 7.77821 7.87233 11.2195 10.5269 6.27581 5.27568 9.13551 7.28249 9.99038 numMergedOcc 0
44 mol 236 unq 4 iso 0 dist 8.63249 10.2557 5.90804 9.97357 13.6195 9.99038 8.3919 11.8908 9.90963 8.03456 numMergedOcc 0
45 mol 236 unq 5 iso 0 dist 8.63249 10.2557 5.90804 9.97357 13.6195 9.99038 4.88785 12.0498 11.3368 6.84306 numMergedOcc 0
46 mol 236 unq 6 iso 0 dist 8.63249 10.2557 5.90804 9.97357 13.6195 9.99038 14.6755 15.4854 11.1557 9.78037 numMergedOcc 0
47 mol 236 unq 7 iso 0 dist 8.63249 10.2557 5.90804 9.97357 13.6195 9.99038 16.5918 16.1665 10.7497 8.35971 numMergedOcc 0
48 mol 236 unq 8 iso 0 dist 8.63249 10.2557 5.90804 6.36941 7.45579 6.27581 8.3919 11.8908 9.90963 9.81562 numMergedOcc 0
49 mol 236 unq 9 iso 0 dist 8.63249 10.2557 5.90804 6.36941 7.45579 6.27581 4.88785 12.0498 11.3368 7.68742 numMergedOcc 0
50 mol 236 unq 10 iso 0 dist 7.74348 6.49831 5.90804 16.3801 13.6195 9.99038 14.9569 11.8908 9.90963 8.03456 numMergedOcc 0
51 mol 236 unq 11 iso 0 dist 7.74348 6.49831 5.90804 16.3801 13.6195 9.99038 17.2906 12.0498 11.3368 6.84306 numMergedOcc 0
52 mol 236 unq 12 iso 0 dist 7.74348 6.49831 5.90804 16.3801 13.6195 9.99038 15.0479 15.4854 11.1557 9.78037 numMergedOcc 0
53 mol 236 unq 13 iso 0 dist 7.74348 6.49831 5.90804 16.3801 13.6195 9.99038 15.3215 16.1665 10.7497 8.35971 numMergedOcc 0
54 mol 236 unq 14 iso 0 dist 7.74348 6.49831 5.90804 12.2331 7.45579 6.27581 14.9569 11.8908 9.90963 9.81562 numMergedOcc 0
55 mol 236 unq 15 iso 0 dist 7.74348 6.49831 5.90804 12.2331 7.45579 6.27581 17.2906 12.0498 11.3368 7.68742 numMergedOcc 0
56 mol 261 unq 0 iso 0 dist 8.88741 6.5875 7.30472 13.1629 11.6843 8.43057 13.7573 16.5234 10.1239 7.73141 numMergedOcc 0
57 mol 280 unq 0 iso 0 dist 4.45141 6.07005 5.41639 10.6192 8.26589 6.53701 7.38048 7.96485 5.51836 6.0664 numMergedOcc 0
58 mol 280 unq 1 iso 0 dist 4.45141 7.38048 7.96485 10.6192 8.26589 6.0664 6.07005 5.41639 5.51836 6.53701 numMergedOcc 0
