0 mol 7 unq 0 iso 0 dist 6.22892 5.13744 6.36911 14.5008 13.2247 9.36807 14.6751 10.5461 10.515 7.10621 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.17898 12.0005 7.03948 10.6491 6.92781 5.47769 5.72175 5.05803 6.2983 6.31718 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.17898 12.0005 7.03948 10.6491 6.92781 5.47769 16.2171 12.5273 5.94084 7.63133 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 8.17898 12.0005 7.03948 15.8595 10.7015 6.58035 16.2171 12.5273 5.94084 5.46498 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.84393 6.31174 8.73972 10.1953 5.03957 8.23643 15.6111 12.1187 11.0832 7.20519 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 7.84393 6.31174 8.73972 10.1953 5.03957 8.23643 9.01721 7.82074 6.55187 4.54938 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 7.84393 6.31174 8.73972 10.1953 5.03957 8.23643 14.1708 11.0366 12.3093 6.864 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.99634 11.6323 9.54144 13.7301 10.6748 8.68586 15.7464 14.5656 5.3948 9.67592 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 10.8067 8.9232 13.4082 9.38498 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 10.5627 11.4799 7.41074 9.96396 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 17.4113 16.0453 15.9882 9.75218 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 4.24428 5.14919 5.64598 6.30194 5.7113 4.65521 10.5627 11.4799 7.41074 6.19304 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 10.8067 10.2049 13.4082 9.38498 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 10.5627 6.19304 7.41074 9.96396 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 17.4113 11.6369 15.9882 9.75218 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 6.30194 5.14919 4.65521 4.24428 5.7113 5.64598 6.58444 11.379 9.77992 5.93252 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 5.79954 13.1044 8.70133 12.8368 7.4697 5.64598 18.2252 13.1662 9.77992 5.93252 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 5.79954 13.1044 8.70133 10.4766 5.4148 4.65521 12.8388 9.96396 7.41074 6.19304 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 7.01889 15.124 8.70133 12.424 7.4697 5.64598 17.249 13.1662 9.77992 5.93252 numMergedOcc 0
19 mol 73 unq 11 iso 0 dist 7.01889 15.124 8.70133 10.997 5.4148 4.65521 15.0744 9.96396 7.41074 6.19304 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 9.22376 13.0379 7.22293 9.8682 6.9948 9.47876 5.75796 7.47541 7.98917 7.97049 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 9.22376 13.0379 7.22293 9.8682 6.9948 9.47876 3.85308 7.66905 11.6116 6.19965 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 6.30103 9.81259 7.06013 10.2803 5.02055 5.81965 15.6107 11.862 6.99832 7.4729 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 6.30103 9.81259 7.06013 14.2941 12.4494 9.70512 15.6107 11.862 6.99832 6.82344 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.39771 17.5575 9.20981 12.9387 4.98336 5.87358 20.4735 13.4572 9.46098 8.69985 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 6.85677 11.7378 8.43904 14.3566 9.22558 6.19042 14.536 10.1813 6.35763 9.87172 numMergedOcc 0
26 mol 132 unq 0 iso 0 dist 8.34869 6.58856 7.61505 6.2403 4.35917 6.03703 6.04014 11.5751 9.92344 7.7059 numMergedOcc 0
27 mol 132 unq 1 iso 0 dist 9.43748 10.343 7.61505 6.495 4.35917 6.03703 10.0823 11.5751 9.92344 7.7059 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 5.67862 6.30187 5.42582 10.738 5.49782 8.79571 9.52819 6.37586 5.41704 8.94367 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 5.67862 6.30187 5.42582 10.738 5.49782 8.79571 12.4156 9.71307 6.17103 9.86662 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 5.67862 6.30187 5.42582 7.97208 5.00817 8.6355 12.5576 9.5126 10.1448 6.54501 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 5.67862 6.30187 5.42582 7.97208 5.00817 8.6355 9.52819 6.37586 5.41704 6.49416 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 7.97208 6.30187 8.6355 10.738 8.80819 8.79571 9.52819 6.49416 5.41704 8.94367 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 7.97208 6.30187 8.6355 10.738 8.80819 8.79571 12.4156 12.5075 6.17103 9.86662 numMergedOcc 0
34 mol 134 unq 6 iso 0 dist 7.97208 6.30187 8.6355 5.67862 5.00817 5.42582 9.52819 6.49416 5.41704 6.37586 numMergedOcc 0
35 mol 134 unq 7 iso 0 dist 7.97208 6.30187 8.6355 5.67862 5.00817 5.42582 12.4156 12.5075 6.17103 9.71307 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 6.53758 6.40439 8.87452 13.7468 12.1545 9.17284 10.0656 11.6934 4.9093 6.23493 numMergedOcc 0
37 mol 155 unq 1 iso 0 dist 6.53758 6.40439 8.87452 13.7468 12.1545 9.17284 12.7034 13.4817 6.3437 7.46303 numMergedOcc 0
38 mol 155 unq 2 iso 0 dist 7.28355 10.0058 7.16254 10.2528 5.71071 9.14392 4.8645 6.23493 6.3845 7.46303 numMergedOcc 0
39 mol 155 unq 3 iso 0 dist 7.28355 10.0058 7.16254 10.2528 5.71071 9.14392 10.2051 10.2463 12.1814 6.43582 numMergedOcc 0
40 mol 155 unq 4 iso 0 dist 7.28355 10.5375 9.86313 10.2528 5.71071 7.51198 4.8645 6.23493 5.86939 7.46303 numMergedOcc 0
41 mol 155 unq 5 iso 0 dist 7.28355 10.5375 9.86313 10.2528 5.71071 7.51198 10.2051 10.2463 6.34186 6.43582 numMergedOcc 0
42 mol 155 unq 6 iso 0 dist 8.66709 7.00069 7.39644 9.91732 10.7616 7.36102 13.8829 10.7829 8.27726 6.43582 numMergedOcc 0
43 mol 175 unq 0 iso 0 dist 6.6776 10.2578 9.8589 11.1815 7.42466 7.24908 13.7028 9.0018 8.22779 7.652 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 6.6776 10.2578 9.8589 11.1815 7.42466 7.24908 10.4662 5.6234 10.5631 9.92231 numMergedOcc 0
45 mol 214 unq 0 iso 0 dist 8.47248 15.9026 8.60247 18.1374 10.3105 7.46831 17.404 11.9355 6.67959 8.85478 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 4.79841 7.32238 6.67585 9.04374 4.70378 6.65984 11.4653 8.95269 5.29877 6.57273 numMergedOcc 0
47 mol 224 unq 1 iso 0 dist 4.79841 7.32238 6.67585 9.04374 4.70378 6.65984 12.5358 9.99123 6.12232 6.60589 numMergedOcc 0
48 mol 236 unq 0 iso 0 dist 9.97357 11.4732 7.17676 6.36941 7.28249 5.34718 8.3919 8.03456 11.8759 9.81562 numMergedOcc 0
49 mol 236 unq 1 iso 0 dist 9.97357 11.4732 7.17676 6.36941 7.28249 5.34718 4.88785 6.84306 11.3552 7.68742 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 9.97357 11.4732 7.17676 6.36941 7.28249 5.34718 10.2557 9.99038 6.04825 6.27581 numMergedOcc 0
51 mol 236 unq 3 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 8.3919 9.81562 11.8759 8.03456 numMergedOcc 0
52 mol 236 unq 4 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 4.88785 7.68742 11.3552 6.84306 numMergedOcc 0
53 mol 236 unq 5 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 10.2557 6.27581 6.04825 9.99038 numMergedOcc 0
54 mol 236 unq 6 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 14.6755 13.499 12.6468 9.78037 numMergedOcc 0
55 mol 236 unq 7 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 16.5918 11.2141 6.40312 8.35971 numMergedOcc 0
56 mol 256 unq 0 iso 0 dist 7.54586 5.34142 8.09363 9.9381 9.92128 5.24676 5.59031 11.4761 4.22352 8.29103 numMergedOcc 0
57 mol 272 unq 0 iso 0 dist 4.78812 6.99865 6.73206 6.62923 5.40809 9.09992 11.9042 13.2494 10.841 9.97651 numMergedOcc 0
58 mol 272 unq 1 iso 0 dist 4.78812 6.99865 6.73206 6.62923 5.40809 9.09992 5.27123 8.33638 5.63139 8.46116 numMergedOcc 0
59 mol 272 unq 2 iso 0 dist 6.62923 6.99865 9.09992 4.78812 5.40809 6.73206 5.27123 8.46116 5.63139 8.33638 numMergedOcc 0
60 mol 282 unq 0 iso 0 dist 8.58671 4.91806 6.85028 11.0247 5.39891 7.32347 8.13794 8.04483 6.3384 6.33524 numMergedOcc 0
61 mol 282 unq 1 iso 0 dist 9.51581 10.8603 7.32347 14.1723 5.39891 6.85028 9.67023 6.33524 6.3384 8.04483 numMergedOcc 0
