0 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 16.2171 12.5273 5.94084 7.63133 10.8455 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.17898 12.0005 7.03948 10.6491 6.92781 5.47769 16.2171 12.5273 5.94084 7.63133 5.72175 5.05803 6.2983 6.31718 10.8455 numMergedOcc 0
2 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 9.01721 7.82074 6.55187 4.54938 7.34551 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 7.84393 6.31174 8.73972 10.1953 5.03957 8.23643 9.01721 7.82074 6.55187 4.54938 15.6111 12.1187 11.0832 7.20519 7.34551 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.84393 6.31174 8.73972 10.1953 5.03957 8.23643 15.6111 12.1187 11.0832 7.20519 14.1708 11.0366 12.3093 6.864 7.07775 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 7.84393 6.31174 8.73972 10.1953 5.03957 8.23643 14.1708 11.0366 12.3093 6.864 15.6111 12.1187 11.0832 7.20519 7.07775 numMergedOcc 0
6 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 14.1708 11.0366 12.3093 6.864 5.80928 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 7.84393 6.31174 8.73972 10.1953 5.03957 8.23643 14.1708 11.0366 12.3093 6.864 9.01721 7.82074 6.55187 4.54938 5.80928 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 10.5627 11.4799 7.41074 9.96396 15.7123 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 10.5627 11.4799 7.41074 9.96396 10.8067 8.9232 13.4082 9.38498 15.7123 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 10.8067 8.9232 13.4082 9.38498 17.4113 16.0453 15.9882 9.75218 13.7412 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 17.4113 16.0453 15.9882 9.75218 10.8067 8.9232 13.4082 9.38498 13.7412 numMergedOcc 0
12 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 17.4113 16.0453 15.9882 9.75218 12.016 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 17.4113 16.0453 15.9882 9.75218 10.5627 11.4799 7.41074 9.96396 12.016 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 10.8067 10.2049 13.4082 9.38498 10.5627 6.19304 7.41074 9.96396 15.7123 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 10.5627 6.19304 7.41074 9.96396 10.8067 10.2049 13.4082 9.38498 15.7123 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 10.8067 10.2049 13.4082 9.38498 17.4113 11.6369 15.9882 9.75218 13.7412 numMergedOcc 0
17 mol 73 unq 3 iso 1 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 17.4113 11.6369 15.9882 9.75218 10.8067 10.2049 13.4082 9.38498 13.7412 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 10.5627 6.19304 7.41074 9.96396 17.4113 11.6369 15.9882 9.75218 12.016 numMergedOcc 0
19 mol 73 unq 3 iso 1 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 17.4113 11.6369 15.9882 9.75218 10.5627 6.19304 7.41074 9.96396 12.016 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 3.85308 7.66905 11.6116 6.19965 5.42586 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 9.22376 13.0379 7.22293 9.8682 6.9948 9.47876 3.85308 7.66905 11.6116 6.19965 5.75796 7.47541 7.98917 7.97049 5.42586 numMergedOcc 0
22 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 12.4156 9.71307 6.17103 9.86662 6.81259 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 5.67862 6.30187 5.42582 10.738 5.49782 8.79571 12.4156 9.71307 6.17103 9.86662 9.52819 6.37586 5.41704 8.94367 6.81259 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 5.67862 6.30187 5.42582 7.97208 5.00817 8.6355 12.5576 9.5126 10.1448 6.54501 9.52819 6.37586 5.41704 6.49416 5.00526 numMergedOcc 0
25 mol 134 unq 1 iso 1 dist 5.67862 6.30187 5.42582 7.97208 5.00817 8.6355 9.52819 6.37586 5.41704 6.49416 12.5576 9.5126 10.1448 6.54501 5.00526 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 7.97208 6.30187 8.6355 10.738 8.80819 8.79571 9.52819 6.49416 5.41704 8.94367 12.4156 12.5075 6.17103 9.86662 6.81259 numMergedOcc 0
27 mol 134 unq 2 iso 1 dist 7.97208 6.30187 8.6355 10.738 8.80819 8.79571 12.4156 12.5075 6.17103 9.86662 9.52819 6.49416 5.41704 8.94367 6.81259 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.97208 6.30187 8.6355 5.67862 5.00817 5.42582 9.52819 6.49416 5.41704 6.37586 12.4156 12.5075 6.17103 9.71307 6.81259 numMergedOcc 0
29 mol 134 unq 3 iso 1 dist 7.97208 6.30187 8.6355 5.67862 5.00817 5.42582 12.4156 12.5075 6.17103 9.71307 9.52819 6.49416 5.41704 6.37586 6.81259 numMergedOcc 0
30 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 12.7034 13.4817 6.3437 7.46303 5.71071 numMergedOcc 0
31 mol 155 unq 0 iso 1 dist 6.53758 6.40439 8.87452 13.7468 12.1545 9.17284 12.7034 13.4817 6.3437 7.46303 10.0656 11.6934 4.9093 6.23493 5.71071 numMergedOcc 0
32 mol 155 unq 1 iso 0 dist 7.28355 10.0058 7.16254 10.2528 5.71071 9.14392 4.8645 6.23493 6.3845 7.46303 10.2051 10.2463 12.1814 6.43582 7.66392 numMergedOcc 0
33 mol 155 unq 1 iso 1 dist 7.28355 10.0058 7.16254 10.2528 5.71071 9.14392 10.2051 10.2463 12.1814 6.43582 4.8645 6.23493 6.3845 7.46303 7.66392 numMergedOcc 0
34 mol 155 unq 2 iso 0 dist 7.28355 10.5375 9.86313 10.2528 5.71071 7.51198 4.8645 6.23493 5.86939 7.46303 10.2051 10.2463 6.34186 6.43582 7.66392 numMergedOcc 0
35 mol 155 unq 2 iso 1 dist 7.28355 10.5375 9.86313 10.2528 5.71071 7.51198 10.2051 10.2463 6.34186 6.43582 4.8645 6.23493 5.86939 7.46303 7.66392 numMergedOcc 0
36 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 10.4662 5.6234 10.5631 9.92231 6.2715 numMergedOcc 0
37 mol 175 unq 0 iso 1 dist 6.6776 10.2578 9.8589 11.1815 7.42466 7.24908 10.4662 5.6234 10.5631 9.92231 13.7028 9.0018 8.22779 7.652 6.2715 numMergedOcc 0
38 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 12.5358 9.99123 6.12232 6.60589 5.0744 numMergedOcc 0
39 mol 224 unq 0 iso 1 dist 4.79841 7.32238 6.67585 9.04374 4.70378 6.65984 12.5358 9.99123 6.12232 6.60589 11.4653 8.95269 5.29877 6.57273 5.0744 numMergedOcc 0
40 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 4.88785 6.84306 11.3552 7.68742 5.79505 numMergedOcc 0
41 mol 236 unq 0 iso 1 dist 9.97357 11.4732 7.17676 6.36941 7.28249 5.34718 4.88785 6.84306 11.3552 7.68742 8.3919 8.03456 11.8759 9.81562 5.79505 numMergedOcc 0
42 mol 236 unq 1 iso 0 dist 9.97357 11.4732 7.17676 6.36941 7.28249 5.34718 8.3919 8.03456 11.8759 9.81562 10.2557 9.99038 6.04825 6.27581 9.90963 numMergedOcc 0
43 mol 236 unq 1 iso 1 dist 9.97357 11.4732 7.17676 6.36941 7.28249 5.34718 10.2557 9.99038 6.04825 6.27581 8.3919 8.03456 11.8759 9.81562 9.90963 numMergedOcc 0
44 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 10.2557 9.99038 6.04825 6.27581 11.3368 numMergedOcc 0
45 mol 236 unq 1 iso 1 dist 9.97357 11.4732 7.17676 6.36941 7.28249 5.34718 10.2557 9.99038 6.04825 6.27581 4.88785 6.84306 11.3552 7.68742 11.3368 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 8.3919 9.81562 11.8759 8.03456 4.88785 7.68742 11.3552 6.84306 5.79505 numMergedOcc 0
47 mol 236 unq 2 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 4.88785 7.68742 11.3552 6.84306 8.3919 9.81562 11.8759 8.03456 5.79505 numMergedOcc 0
48 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 10.2557 6.27581 6.04825 9.99038 9.90963 numMergedOcc 0
49 mol 236 unq 3 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 10.2557 6.27581 6.04825 9.99038 8.3919 9.81562 11.8759 8.03456 9.90963 numMergedOcc 0
50 mol 236 unq 4 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 8.3919 9.81562 11.8759 8.03456 14.6755 13.499 12.6468 9.78037 6.96005 numMergedOcc 0
51 mol 236 unq 4 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 14.6755 13.499 12.6468 9.78037 8.3919 9.81562 11.8759 8.03456 6.96005 numMergedOcc 0
52 mol 236 unq 5 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 8.3919 9.81562 11.8759 8.03456 16.5918 11.2141 6.40312 8.35971 14.2337 numMergedOcc 0
53 mol 236 unq 5 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 16.5918 11.2141 6.40312 8.35971 8.3919 9.81562 11.8759 8.03456 14.2337 numMergedOcc 0
54 mol 236 unq 3 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 4.88785 7.68742 11.3552 6.84306 10.2557 6.27581 6.04825 9.99038 11.3368 numMergedOcc 0
55 mol 236 unq 3 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 10.2557 6.27581 6.04825 9.99038 4.88785 7.68742 11.3552 6.84306 11.3368 numMergedOcc 0
56 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 14.6755 13.499 12.6468 9.78037 11.8739 numMergedOcc 0
57 mol 236 unq 4 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 14.6755 13.499 12.6468 9.78037 4.88785 7.68742 11.3552 6.84306 11.8739 numMergedOcc 0
58 mol 236 unq 5 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 4.88785 7.68742 11.3552 6.84306 16.5918 11.2141 6.40312 8.35971 14.7998 numMergedOcc 0
59 mol 236 unq 5 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 16.5918 11.2141 6.40312 8.35971 4.88785 7.68742 11.3552 6.84306 14.7998 numMergedOcc 0
60 mol 236 unq 4 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 10.2557 6.27581 6.04825 9.99038 14.6755 13.499 12.6468 9.78037 11.1557 numMergedOcc 0
61 mol 236 unq 4 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 14.6755 13.499 12.6468 9.78037 10.2557 6.27581 6.04825 9.99038 11.1557 numMergedOcc 0
62 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 16.5918 11.2141 6.40312 8.35971 10.7497 numMergedOcc 0
63 mol 236 unq 5 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 16.5918 11.2141 6.40312 8.35971 10.2557 6.27581 6.04825 9.99038 10.7497 numMergedOcc 0
64 mol 236 unq 5 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 14.6755 13.499 12.6468 9.78037 16.5918 11.2141 6.40312 8.35971 12.0369 numMergedOcc 0
65 mol 236 unq 5 iso 1 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 16.5918 11.2141 6.40312 8.35971 14.6755 13.499 12.6468 9.78037 12.0369 numMergedOcc 0
66 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 5.27123 8.33638 5.63139 8.46116 8.12676 numMergedOcc 0
67 mol 272 unq 0 iso 1 dist 4.78812 6.99865 6.73206 6.62923 5.40809 9.09992 5.27123 8.33638 5.63139 8.46116 11.9042 13.2494 10.841 9.97651 8.12676 numMergedOcc 0
