0 mol 14 unq 0 iso 0 dist 7.0208 5.1956 5.36937 10.5465 9.58196 6.03847 12.1294 5.53425 8.82819 9.7022 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.0208 5.1956 5.36937 10.5465 9.58196 6.03847 9.64431 4.53725 5.99703 9.04767 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 7.28563 6.38279 5.36937 12.3645 9.58196 6.03847 12.5485 5.53425 8.82819 9.7022 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 7.28563 6.38279 5.36937 12.3645 9.58196 6.03847 8.51112 4.53725 5.99703 9.04767 numMergedOcc 0
4 mol 14 unq 4 iso 0 dist 8.51112 10.7867 7.73217 12.3645 9.04767 4.75873 12.5485 5.67201 10.9341 9.7022 numMergedOcc 0
5 mol 14 unq 5 iso 0 dist 8.51112 10.7867 7.73217 12.3645 9.04767 4.75873 7.28563 4.53725 9.95397 9.58196 numMergedOcc 0
6 mol 14 unq 6 iso 0 dist 8.51112 6.38279 5.99703 12.3645 9.04767 6.03847 12.5485 5.67201 8.82819 9.7022 numMergedOcc 0
7 mol 14 unq 7 iso 0 dist 8.51112 6.38279 5.99703 12.3645 9.04767 6.03847 7.28563 4.53725 5.36937 9.58196 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 17.544 10.0952 15.5112 8.86116 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 8.99509 5.06502 12.7352 5.73819 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 5.73331 6.45462 10.5813 8.93915 numMergedOcc 0
11 mol 43 unq 2 iso 0 dist 5.73331 4.09692 9.47348 8.14351 8.93915 9.92508 8.99509 5.89973 12.0317 5.73819 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 5.73331 4.09692 9.47348 8.14351 8.93915 9.92508 8.47617 6.45462 12.0919 6.20293 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 8.46609 9.47661 7.15352 4.72836 6.65595 9.28444 12.0878 6.54743 13.4319 8.90863 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 8.46609 9.47661 7.15352 12.4802 6.43294 4.80738 18.3818 10.1562 12.4311 8.33063 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 8.46609 9.47661 7.15352 12.4802 6.43294 4.80738 13.7633 5.67502 11.7612 8.7531 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 10.3475 9.33865 10.9791 11.7895 8.02349 12.4685 6.11741 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 5.11612 5.73904 7.9258 6.86762 5.83991 4.75197 12.9567 10.8507 9.26923 7.30858 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 5.11612 5.73904 7.9258 6.86762 5.83991 4.75197 11.7895 8.02349 12.4685 7.88312 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 6.47346 11.0685 8.59695 6.90896 5.83384 6.13737 14.4108 9.05135 11.3703 9.61051 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 6.47346 3.86284 6.42706 6.90896 5.83384 5.12351 14.4108 9.05135 12.0652 9.61051 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 6.80087 8.00618 9.67676 12.8006 11.965 15.8406 6.29155 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 8.94909 6.14253 9.47554 6.80087 8.00618 9.67676 9.73536 7.79672 13.9771 6.80239 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 9.37459 5.42328 13.7313 5.87555 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 6.00061 6.4896 12.3711 8.67331 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 9.37459 5.42328 13.7313 8.87437 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 6.00061 6.4896 12.3711 8.05741 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 6.43406 6.35731 7.7544 10.9813 7.81386 10.8374 13.9818 8.85576 11.1074 7.63312 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.04106 11.4325 7.51951 12.9245 7.26832 5.04299 13.1824 7.38516 9.80543 6.03031 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 6.04106 11.4325 7.51951 12.9245 7.26832 5.04299 19.8591 13.8543 12.4766 7.80463 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 7.94694 4.45877 8.11407 5.1071 7.7366 7.72969 7.51923 5.63422 8.95375 9.774 numMergedOcc 0
31 mol 206 unq 1 iso 0 dist 7.51923 4.45877 8.95375 5.1071 9.774 7.72969 7.94694 5.63422 8.11407 7.7366 numMergedOcc 0
32 mol 206 unq 2 iso 0 dist 7.51923 10.6096 9.29007 5.1071 9.774 9.9578 7.94694 5.63422 11.3921 7.7366 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 9.61379 8.96279 7.49783 9.57016 8.95269 12.8561 11.7326 4.70378 11.5265 6.57273 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 9.61379 8.96279 7.49783 9.57016 8.95269 12.8561 14.3448 11.5372 14.8623 5.78342 numMergedOcc 0
35 mol 224 unq 2 iso 0 dist 8.47457 5.39078 8.80858 8.1404 6.60589 4.93626 12.3857 5.0744 10.8126 6.57273 numMergedOcc 0
36 mol 224 unq 3 iso 0 dist 8.47457 5.39078 8.80858 15.1783 9.16166 11.8641 12.3857 5.0744 10.8126 5.78342 numMergedOcc 0
37 mol 224 unq 4 iso 0 dist 8.47457 5.39078 8.80858 15.1783 9.16166 11.8641 14.6947 6.91102 13.3427 5.81334 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 8.52933 5.67229 8.68804 10.568 9.06952 6.36273 13.4598 6.84129 11.2048 7.03423 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 6.15754 9.92466 5.46736 12.4455 6.56247 4.93623 8.9413 5.88703 10.8568 9.45496 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 6.15754 9.92466 5.46736 14.0876 9.36357 11.7817 8.9413 5.88703 10.8568 6.7625 numMergedOcc 0
41 mol 234 unq 2 iso 0 dist 6.6281 6.70367 5.46736 10.0624 6.56247 4.93623 11.5469 5.88703 10.8568 9.45496 numMergedOcc 0
42 mol 234 unq 3 iso 0 dist 6.6281 6.70367 5.46736 13.9869 9.36357 11.7817 11.5469 5.88703 10.8568 6.7625 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 13.7629 9.81562 15.6279 11.0371 7.28249 9.13551 8.03456 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 5.99137 7.15062 7.87233 13.3575 7.68742 13.7246 11.0371 7.28249 9.13551 6.84306 numMergedOcc 0
45 mol 236 unq 2 iso 0 dist 5.99137 7.15062 7.87233 5.03598 6.27581 10.5269 11.0371 7.28249 9.13551 9.99038 numMergedOcc 0
46 mol 280 unq 0 iso 0 dist 9.0021 7.41099 5.41639 12.6862 6.53701 8.26589 14.0039 5.51836 7.96485 6.0664 numMergedOcc 0
