0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 5.13744 6.36911 6.06176 14.5008 13.2247 12.2333 9.36807 14.6751 10.5461 12.2041 10.515 7.10621 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 12.0005 7.03948 6.2983 10.6491 6.92781 6.31718 5.47769 16.2171 12.5273 10.8455 5.94084 7.63133 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 12.0005 7.03948 6.2983 15.8595 10.7015 10.9143 6.58035 16.2171 12.5273 10.8455 5.94084 5.46498 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 6.31174 8.73972 6.55187 10.1953 5.03957 4.54938 8.23643 15.6111 12.1187 7.34551 11.0832 7.20519 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.84393 9.01721 7.82074 6.31174 8.73972 6.55187 10.1953 5.03957 4.54938 8.23643 14.1708 11.0366 5.80928 12.3093 6.864 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 4.24428 6.58444 5.93252 5.14919 5.64598 9.77992 10.392 7.4697 13.1662 8.70133 10.8067 8.9232 11.8291 13.4082 9.38498 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 4.24428 6.58444 5.93252 5.14919 5.64598 9.77992 10.392 7.4697 13.1662 8.70133 10.5627 11.4799 16.5689 7.41074 9.96396 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 4.24428 6.58444 5.93252 5.14919 5.64598 9.77992 10.392 7.4697 13.1662 8.70133 17.4113 16.0453 21.7714 15.9882 9.75218 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 4.24428 6.58444 5.93252 5.14919 5.64598 9.77992 6.30194 5.7113 11.379 4.65521 10.5627 11.4799 16.5689 7.41074 6.19304 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 10.392 5.4148 9.96396 8.70133 10.8067 10.2049 15.7123 13.4082 9.38498 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 10.392 5.4148 9.96396 8.70133 17.4113 11.6369 12.016 15.9882 9.75218 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 4.24428 5.7113 11.4799 5.64598 6.58444 11.379 16.5689 9.77992 5.93252 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 5.79954 14.1415 9.38498 13.1044 8.70133 13.4082 12.8368 7.4697 8.9232 5.64598 18.2252 13.1662 11.8291 9.77992 5.93252 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 5.79954 14.1415 9.38498 13.1044 8.70133 13.4082 10.4766 5.4148 10.2049 4.65521 12.8388 9.96396 15.7123 7.41074 6.19304 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 5.79954 12.8388 9.96396 13.1044 8.70133 7.41074 12.8368 7.4697 11.4799 5.64598 18.2252 13.1662 16.5689 9.77992 5.93252 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 5.79954 9.65653 9.75218 13.1044 8.70133 15.9882 12.8368 7.4697 16.0453 5.64598 18.2252 13.1662 21.7714 9.77992 5.93252 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 5.79954 9.65653 9.75218 13.1044 8.70133 15.9882 10.4766 5.4148 11.6369 4.65521 12.8388 9.96396 12.016 7.41074 6.19304 numMergedOcc 0
17 mol 73 unq 12 iso 0 dist 7.01889 7.9573 9.38498 15.124 8.70133 13.4082 12.424 7.4697 8.9232 5.64598 17.249 13.1662 11.8291 9.77992 5.93252 numMergedOcc 0
18 mol 73 unq 13 iso 0 dist 7.01889 7.9573 9.38498 15.124 8.70133 13.4082 10.997 5.4148 10.2049 4.65521 15.0744 9.96396 15.7123 7.41074 6.19304 numMergedOcc 0
19 mol 73 unq 14 iso 0 dist 7.01889 15.0744 9.96396 15.124 8.70133 7.41074 12.424 7.4697 11.4799 5.64598 17.249 13.1662 16.5689 9.77992 5.93252 numMergedOcc 0
20 mol 73 unq 15 iso 0 dist 7.01889 8.11922 9.75218 15.124 8.70133 15.9882 12.424 7.4697 16.0453 5.64598 17.249 13.1662 21.7714 9.77992 5.93252 numMergedOcc 0
21 mol 73 unq 16 iso 0 dist 7.01889 8.11922 9.75218 15.124 8.70133 15.9882 10.997 5.4148 11.6369 4.65521 15.0744 9.96396 12.016 7.41074 6.19304 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 13.0379 7.22293 7.98917 9.8682 6.9948 7.97049 9.47876 3.85308 7.66905 5.42586 11.6116 6.19965 numMergedOcc 0
23 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 13.0379 7.22293 11.6116 9.8682 6.9948 6.19965 9.47876 5.75796 7.47541 5.42586 7.98917 7.97049 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 9.22376 9.77828 5.73196 13.0379 7.22293 6.47779 9.8682 6.9948 11.2656 9.47876 5.75796 7.47541 6.87425 7.98917 7.97049 numMergedOcc 0
25 mol 85 unq 3 iso 0 dist 9.22376 9.77828 5.73196 13.0379 7.22293 6.47779 9.8682 6.9948 11.2656 9.47876 3.85308 7.66905 10.1164 11.6116 6.19965 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 11.7378 8.43904 10.3457 14.3566 9.22558 13.9919 6.19042 14.536 10.1813 10.9871 6.35763 9.87172 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 10.738 5.49782 8.94367 8.79571 12.4156 9.71307 6.81259 6.17103 9.86662 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 7.97208 5.00817 6.49416 8.6355 12.5576 9.5126 5.00526 10.1448 6.54501 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 10.738 5.49782 9.86662 8.79571 9.52819 6.37586 6.81259 5.41704 8.94367 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 7.97208 5.00817 12.5075 8.6355 12.5576 9.5126 11.3271 10.1448 6.54501 numMergedOcc 0
31 mol 134 unq 4 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 7.97208 5.00817 12.5075 8.6355 9.52819 6.37586 6.81259 5.41704 6.49416 numMergedOcc 0
32 mol 134 unq 5 iso 0 dist 7.97208 12.5576 6.54501 6.30187 8.6355 10.1448 10.738 8.80819 11.9139 8.79571 9.52819 6.49416 5.00526 5.41704 8.94367 numMergedOcc 0
33 mol 134 unq 6 iso 0 dist 7.97208 12.5576 6.54501 6.30187 8.6355 10.1448 10.738 8.80819 11.9139 8.79571 12.4156 12.5075 11.3271 6.17103 9.86662 numMergedOcc 0
34 mol 134 unq 7 iso 0 dist 7.97208 12.5576 6.54501 6.30187 8.6355 10.1448 5.67862 5.00817 9.5126 5.42582 9.52819 6.49416 5.00526 5.41704 6.37586 numMergedOcc 0
35 mol 134 unq 8 iso 0 dist 7.97208 12.5576 6.54501 6.30187 8.6355 10.1448 5.67862 5.00817 9.5126 5.42582 12.4156 12.5075 11.3271 6.17103 9.71307 numMergedOcc 0
36 mol 134 unq 9 iso 0 dist 7.97208 9.52819 6.49416 6.30187 8.6355 5.41704 10.738 8.80819 8.94367 8.79571 12.4156 12.5075 6.81259 6.17103 9.86662 numMergedOcc 0
37 mol 134 unq 10 iso 0 dist 7.97208 9.52819 6.49416 6.30187 8.6355 5.41704 5.67862 5.00817 6.37586 5.42582 12.4156 12.5075 6.81259 6.17103 9.71307 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 7.28355 4.8645 6.23493 10.0058 7.16254 6.3845 10.2528 5.71071 7.46303 9.14392 10.2051 10.2463 7.66392 12.1814 6.43582 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 7.28355 4.8645 6.23493 10.5375 9.86313 5.86939 10.2528 5.71071 7.46303 7.51198 10.2051 10.2463 7.66392 6.34186 6.43582 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 6.6776 13.7028 9.0018 10.2578 9.8589 8.22779 11.1815 7.42466 7.652 7.24908 10.4662 5.6234 6.2715 10.5631 9.92231 numMergedOcc 0
41 mol 175 unq 1 iso 0 dist 6.6776 10.4662 5.6234 10.2578 9.8589 10.5631 11.1815 7.42466 9.92231 7.24908 13.7028 9.0018 6.2715 8.22779 7.652 numMergedOcc 0
42 mol 175 unq 2 iso 0 dist 6.6776 7.42609 6.57069 10.2578 9.8589 7.5414 11.1815 7.42466 10.2623 7.24908 13.7028 9.0018 8.16421 8.22779 7.652 numMergedOcc 0
43 mol 175 unq 3 iso 0 dist 6.6776 7.42609 6.57069 10.2578 9.8589 7.5414 11.1815 7.42466 10.2623 7.24908 10.4662 5.6234 5.35493 10.5631 9.92231 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 7.32238 6.67585 5.29877 9.04374 4.70378 6.57273 6.65984 12.5358 9.99123 5.0744 6.12232 6.60589 numMergedOcc 0
45 mol 236 unq 0 iso 0 dist 9.97357 8.3919 8.03456 11.4732 7.17676 11.8759 6.36941 7.28249 9.81562 5.34718 4.88785 6.84306 5.79505 11.3552 7.68742 numMergedOcc 0
46 mol 236 unq 1 iso 0 dist 9.97357 8.3919 8.03456 11.4732 7.17676 11.8759 6.36941 7.28249 9.81562 5.34718 10.2557 9.99038 9.90963 6.04825 6.27581 numMergedOcc 0
47 mol 236 unq 2 iso 0 dist 9.97357 4.88785 6.84306 11.4732 7.17676 11.3552 6.36941 7.28249 7.68742 5.34718 8.3919 8.03456 5.79505 11.8759 9.81562 numMergedOcc 0
48 mol 236 unq 3 iso 0 dist 9.97357 4.88785 6.84306 11.4732 7.17676 11.3552 6.36941 7.28249 7.68742 5.34718 10.2557 9.99038 11.3368 6.04825 6.27581 numMergedOcc 0
49 mol 236 unq 4 iso 0 dist 9.97357 10.2557 9.99038 11.4732 7.17676 6.04825 6.36941 7.28249 6.27581 5.34718 8.3919 8.03456 9.90963 11.8759 9.81562 numMergedOcc 0
50 mol 236 unq 5 iso 0 dist 9.97357 10.2557 9.99038 11.4732 7.17676 6.04825 6.36941 7.28249 6.27581 5.34718 4.88785 6.84306 11.3368 11.3552 7.68742 numMergedOcc 0
51 mol 236 unq 6 iso 0 dist 9.97357 14.6755 9.78037 11.4732 7.17676 12.6468 6.36941 7.28249 13.499 5.34718 8.3919 8.03456 6.96005 11.8759 9.81562 numMergedOcc 0
52 mol 236 unq 7 iso 0 dist 9.97357 14.6755 9.78037 11.4732 7.17676 12.6468 6.36941 7.28249 13.499 5.34718 4.88785 6.84306 11.8739 11.3552 7.68742 numMergedOcc 0
53 mol 236 unq 8 iso 0 dist 9.97357 14.6755 9.78037 11.4732 7.17676 12.6468 6.36941 7.28249 13.499 5.34718 10.2557 9.99038 11.1557 6.04825 6.27581 numMergedOcc 0
54 mol 236 unq 9 iso 0 dist 9.97357 16.5918 8.35971 11.4732 7.17676 6.40312 6.36941 7.28249 11.2141 5.34718 8.3919 8.03456 14.2337 11.8759 9.81562 numMergedOcc 0
55 mol 236 unq 10 iso 0 dist 9.97357 16.5918 8.35971 11.4732 7.17676 6.40312 6.36941 7.28249 11.2141 5.34718 4.88785 6.84306 14.7998 11.3552 7.68742 numMergedOcc 0
56 mol 236 unq 11 iso 0 dist 9.97357 16.5918 8.35971 11.4732 7.17676 6.40312 6.36941 7.28249 11.2141 5.34718 10.2557 9.99038 10.7497 6.04825 6.27581 numMergedOcc 0
57 mol 236 unq 12 iso 0 dist 6.36941 8.3919 9.81562 11.4732 5.34718 11.8759 9.97357 7.28249 8.03456 7.17676 4.88785 7.68742 5.79505 11.3552 6.84306 numMergedOcc 0
58 mol 236 unq 13 iso 0 dist 6.36941 8.3919 9.81562 11.4732 5.34718 11.8759 9.97357 7.28249 8.03456 7.17676 10.2557 6.27581 9.90963 6.04825 9.99038 numMergedOcc 0
59 mol 236 unq 14 iso 0 dist 6.36941 8.3919 9.81562 11.4732 5.34718 11.8759 9.97357 7.28249 8.03456 7.17676 14.6755 13.499 6.96005 12.6468 9.78037 numMergedOcc 0
60 mol 236 unq 15 iso 0 dist 6.36941 8.3919 9.81562 11.4732 5.34718 11.8759 9.97357 7.28249 8.03456 7.17676 16.5918 11.2141 14.2337 6.40312 8.35971 numMergedOcc 0
61 mol 236 unq 16 iso 0 dist 6.36941 4.88785 7.68742 11.4732 5.34718 11.3552 9.97357 7.28249 6.84306 7.17676 8.3919 9.81562 5.79505 11.8759 8.03456 numMergedOcc 0
62 mol 236 unq 17 iso 0 dist 6.36941 4.88785 7.68742 11.4732 5.34718 11.3552 9.97357 7.28249 6.84306 7.17676 10.2557 6.27581 11.3368 6.04825 9.99038 numMergedOcc 0
63 mol 236 unq 18 iso 0 dist 6.36941 4.88785 7.68742 11.4732 5.34718 11.3552 9.97357 7.28249 6.84306 7.17676 14.6755 13.499 11.8739 12.6468 9.78037 numMergedOcc 0
64 mol 236 unq 19 iso 0 dist 6.36941 4.88785 7.68742 11.4732 5.34718 11.3552 9.97357 7.28249 6.84306 7.17676 16.5918 11.2141 14.7998 6.40312 8.35971 numMergedOcc 0
65 mol 236 unq 20 iso 0 dist 6.36941 10.2557 6.27581 11.4732 5.34718 6.04825 9.97357 7.28249 9.99038 7.17676 8.3919 9.81562 9.90963 11.8759 8.03456 numMergedOcc 0
66 mol 236 unq 21 iso 0 dist 6.36941 10.2557 6.27581 11.4732 5.34718 6.04825 9.97357 7.28249 9.99038 7.17676 4.88785 7.68742 11.3368 11.3552 6.84306 numMergedOcc 0
67 mol 236 unq 22 iso 0 dist 6.36941 10.2557 6.27581 11.4732 5.34718 6.04825 9.97357 7.28249 9.99038 7.17676 14.6755 13.499 11.1557 12.6468 9.78037 numMergedOcc 0
68 mol 236 unq 23 iso 0 dist 6.36941 10.2557 6.27581 11.4732 5.34718 6.04825 9.97357 7.28249 9.99038 7.17676 16.5918 11.2141 10.7497 6.40312 8.35971 numMergedOcc 0
69 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 6.99865 6.73206 5.63139 6.62923 5.40809 8.46116 9.09992 11.9042 13.2494 8.12676 10.841 9.97651 numMergedOcc 0
70 mol 272 unq 1 iso 0 dist 6.62923 11.9042 9.97651 6.99865 9.09992 10.841 4.78812 5.40809 13.2494 6.73206 5.27123 8.46116 8.12676 5.63139 8.33638 numMergedOcc 0
