0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 15.9584 13.2603 9.97624 6.55304 6.7985 6.14469 13.0969 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 10.515 9.36807 9.97624 6.34041 12.9581 6.14469 13.0969 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 5.60154 8.47421 9.57198 16.147 14.519 7.35972 13.9252 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.57077 9.62394 9.5997 5.60154 8.47421 9.57198 19.4709 18.1148 9.93542 18.4167 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 8.05213 12.2274 8.73067 10.7734 13.8584 7.98326 7.5901 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 4.61088 5.96346 6.86684 8.05213 12.2274 8.73067 9.62262 10.604 7.46578 12.5553 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 6.29685 10.2062 6.50647 4.29582 7.07399 6.03257 6.19131 numMergedOcc 0
7 mol 15 unq 1 iso 0 dist 9.97507 7.48342 12.1303 6.29685 15.3099 6.50647 4.29582 11.7302 6.03257 6.19131 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 5.5841 9.80108 7.02548 4.97119 10.741 9.95212 5.90856 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 6.74265 9.58539 7.02548 4.64838 6.41575 9.95212 5.90856 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 8.4674 6.41575 4.64838 5.14627 6.20943 5.82366 9.74255 8.40416 9.95212 11.4087 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 4.54938 7.75618 9.74255 5.5841 9.58539 7.02548 4.97119 6.41575 9.95212 5.90856 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 4.54938 6.41575 4.97119 5.14627 7.82528 5.82366 9.74255 7.75618 9.95212 11.4087 numMergedOcc 0
13 mol 19 unq 5 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 9.74255 12.3215 9.95212 11.4087 numMergedOcc 0
14 mol 19 unq 6 iso 0 dist 4.51865 8.40416 7.08342 6.74265 8.58657 7.02548 4.64838 6.41423 9.95212 5.90856 numMergedOcc 0
15 mol 19 unq 7 iso 0 dist 4.51865 6.41423 4.64838 4.69858 6.20943 5.82366 7.08342 8.40416 9.95212 11.4087 numMergedOcc 0
16 mol 19 unq 8 iso 0 dist 6.864 7.75618 7.08342 5.5841 8.58657 7.02548 4.97119 6.41423 9.95212 5.90856 numMergedOcc 0
17 mol 19 unq 9 iso 0 dist 6.864 6.41423 4.97119 4.69858 7.82528 5.82366 7.08342 7.75618 9.95212 11.4087 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 5.04899 9.01548 13.9331 4.70708 9.43699 6.63839 5.77929 8.87757 8.88938 6.06874 numMergedOcc 0
19 mol 54 unq 0 iso 0 dist 6.83299 6.14538 4.29856 5.06052 5.02241 6.30987 4.24786 10.4031 9.17082 6.85072 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 7.41074 8.70133 7.10439 6.29906 12.1382 8.87464 9.79695 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 7.41074 4.65521 7.10439 6.29906 10.2755 8.87464 9.79695 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 6.29906 10.8139 8.87464 9.79695 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 7.97049 9.82915 9.29301 15.8792 13.9302 6.05495 10.4987 14.4725 9.66222 13.3263 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 7.47541 9.82915 13.5116 15.8792 18.8901 6.05495 10.4987 17.5738 9.66222 13.3263 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.70415 10.417 6.0129 7.94178 11.3043 7.36769 10.2677 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 8.70415 10.417 6.0129 4.4057 6.65501 6.88901 5.71029 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 10.0962 10.417 6.0129 9.85543 11.3043 7.36769 10.2677 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 10.0962 10.417 6.0129 9.67482 6.65501 6.88901 5.71029 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 6.69989 12.7291 8.55616 7.41674 5.83771 6.40575 10.6595 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 7.41674 5.83771 6.40575 14.1488 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 6.54501 7.69991 5.71679 6.69989 10.9685 8.55616 7.41674 7.80532 6.40575 10.6595 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 10.1448 8.6355 8.73604 7.41674 7.80532 6.40575 14.1488 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 8.94367 6.23142 4.57832 5.3585 11.2292 8.55616 9.87376 10.5252 6.40575 10.6595 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 8.94367 6.23142 4.57832 5.41704 8.79571 8.73604 9.87376 10.5252 6.40575 14.1488 numMergedOcc 0
35 mol 134 unq 6 iso 0 dist 6.37586 6.23142 5.29786 5.3585 10.9613 8.55616 9.87376 10.7586 6.40575 10.6595 numMergedOcc 0
36 mol 134 unq 7 iso 0 dist 6.37586 6.23142 5.29786 5.41704 5.42582 8.73604 9.87376 10.7586 6.40575 14.1488 numMergedOcc 0
37 mol 134 unq 8 iso 0 dist 6.49416 6.23142 5.71679 5.3585 10.9685 8.55616 9.87376 7.80532 6.40575 10.6595 numMergedOcc 0
38 mol 134 unq 9 iso 0 dist 6.49416 6.23142 5.71679 5.41704 8.6355 8.73604 9.87376 7.80532 6.40575 14.1488 numMergedOcc 0
39 mol 134 unq 10 iso 0 dist 9.86662 9.94764 4.57832 6.74887 11.2292 8.55616 14.9876 10.5252 6.40575 10.6595 numMergedOcc 0
40 mol 134 unq 11 iso 0 dist 9.86662 9.94764 4.57832 6.17103 8.79571 8.73604 14.9876 10.5252 6.40575 14.1488 numMergedOcc 0
41 mol 134 unq 12 iso 0 dist 9.71307 9.94764 5.29786 6.74887 10.9613 8.55616 14.9876 10.7586 6.40575 10.6595 numMergedOcc 0
42 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 6.17103 5.42582 8.73604 14.9876 10.7586 6.40575 14.1488 numMergedOcc 0
43 mol 156 unq 0 iso 0 dist 8.34702 7.30357 10.4977 5.07967 10.7757 7.30946 5.81563 13.0658 8.21184 8.79853 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 8.34702 7.30357 10.4977 5.07967 10.7757 7.30946 5.52796 12.7005 5.41575 5.69209 numMergedOcc 0
45 mol 156 unq 2 iso 0 dist 7.44554 9.44367 5.4555 7.29758 6.27641 5.81122 5.71511 9.4013 8.37434 5.05683 numMergedOcc 0
46 mol 156 unq 3 iso 0 dist 7.66148 7.90267 6.03934 8.67156 10.9818 5.81122 6.13574 11.1147 8.37434 5.05683 numMergedOcc 0
47 mol 156 unq 4 iso 0 dist 8.94056 7.90267 5.4555 8.67156 6.27641 5.81122 6.13574 9.4013 8.37434 5.05683 numMergedOcc 0
48 mol 156 unq 5 iso 0 dist 9.06726 7.30357 12.3086 5.07967 13.5803 7.30946 5.81563 11.5017 8.21184 8.79853 numMergedOcc 0
49 mol 156 unq 6 iso 0 dist 9.06726 7.30357 12.3086 5.07967 13.5803 7.30946 5.52796 13.258 5.41575 5.69209 numMergedOcc 0
50 mol 156 unq 7 iso 0 dist 8.33171 7.30357 7.79535 5.07967 11.7927 7.30946 5.81563 10.0063 8.21184 8.79853 numMergedOcc 0
51 mol 156 unq 8 iso 0 dist 8.33171 7.30357 7.79535 5.07967 11.7927 7.30946 5.52796 10.5287 5.41575 5.69209 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 6.25083 6.94688 9.06217 4.43096 12.4878 7.32087 10.6325 numMergedOcc 0
53 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 6.25083 6.94688 9.06217 8.04639 10.6908 8.86197 8.15174 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 9.1374 6.2479 6.6251 4.77278 6.71012 7.13252 4.43096 12.4878 7.32087 8.45963 numMergedOcc 0
55 mol 181 unq 3 iso 0 dist 9.1374 6.2479 6.6251 4.77278 6.71012 7.13252 8.04639 10.6908 8.86197 11.047 numMergedOcc 0
56 mol 181 unq 4 iso 0 dist 8.03334 6.59025 8.04639 7.07409 10.7636 6.32777 7.81713 6.2479 8.86197 7.23063 numMergedOcc 0
57 mol 181 unq 5 iso 0 dist 8.03334 6.59025 8.04639 7.07409 10.7636 6.32777 7.16549 12.8648 5.94379 5.42554 numMergedOcc 0
58 mol 181 unq 6 iso 0 dist 8.03334 6.2479 7.81713 6.25083 12.1309 9.06217 4.43096 6.46704 7.32087 10.6325 numMergedOcc 0
59 mol 181 unq 7 iso 0 dist 8.03334 6.2479 7.81713 6.25083 12.1309 9.06217 8.04639 6.59025 8.86197 8.15174 numMergedOcc 0
60 mol 181 unq 8 iso 0 dist 8.03334 6.2479 7.81713 4.77278 12.2058 7.13252 4.43096 6.46704 7.32087 8.45963 numMergedOcc 0
61 mol 181 unq 9 iso 0 dist 8.03334 6.2479 7.81713 4.77278 12.2058 7.13252 8.04639 6.59025 8.86197 11.047 numMergedOcc 0
62 mol 181 unq 10 iso 0 dist 5.98885 7.99195 6.6251 5.86342 6.94688 9.06217 12.2164 12.4878 7.32087 10.6325 numMergedOcc 0
63 mol 181 unq 11 iso 0 dist 5.98885 7.99195 6.6251 5.86342 6.94688 9.06217 5.77299 10.6908 8.86197 8.15174 numMergedOcc 0
64 mol 181 unq 12 iso 0 dist 5.98885 7.99195 6.6251 9.14057 6.71012 7.13252 12.2164 12.4878 7.32087 8.45963 numMergedOcc 0
65 mol 181 unq 13 iso 0 dist 5.98885 7.99195 6.6251 9.14057 6.71012 7.13252 5.77299 10.6908 8.86197 11.047 numMergedOcc 0
66 mol 181 unq 14 iso 0 dist 9.09537 7.99195 10.09 5.86342 14.4632 9.06217 12.2164 16.4314 7.32087 10.6325 numMergedOcc 0
67 mol 181 unq 15 iso 0 dist 9.09537 7.99195 10.09 5.86342 14.4632 9.06217 5.77299 11.3325 8.86197 8.15174 numMergedOcc 0
68 mol 181 unq 16 iso 0 dist 9.09537 7.99195 10.09 9.14057 15.4777 7.13252 12.2164 16.4314 7.32087 8.45963 numMergedOcc 0
69 mol 181 unq 17 iso 0 dist 9.09537 7.99195 10.09 9.14057 15.4777 7.13252 5.77299 11.3325 8.86197 11.047 numMergedOcc 0
70 mol 181 unq 18 iso 0 dist 7.81386 5.94469 7.77758 6.7991 4.93785 7.05653 9.69409 14.08 9.92471 9.67649 numMergedOcc 0
71 mol 181 unq 19 iso 0 dist 7.63312 5.9176 5.63555 9.60512 7.98142 5.97685 6.29863 11.9764 7.22883 11.2039 numMergedOcc 0
72 mol 181 unq 20 iso 0 dist 7.63312 5.9176 5.63555 13.3389 7.37327 8.9289 6.29863 11.9764 7.22883 15.9559 numMergedOcc 0
73 mol 181 unq 21 iso 0 dist 7.63312 5.94469 12.5387 6.7991 10.1232 7.05653 9.69409 15.9489 9.92471 9.67649 numMergedOcc 0
74 mol 192 unq 0 iso 0 dist 5.59424 8.77999 8.49529 5.71262 8.36822 7.33225 12.717 12.0486 6.60053 8.38671 numMergedOcc 0
75 mol 192 unq 1 iso 0 dist 5.59424 8.77999 8.49529 5.71262 8.36822 7.33225 14.8459 12.708 9.36796 11.0721 numMergedOcc 0
76 mol 192 unq 2 iso 0 dist 7.00794 8.77999 11.7523 5.71262 12.1647 7.33225 12.717 16.9245 6.60053 8.38671 numMergedOcc 0
77 mol 192 unq 3 iso 0 dist 7.00794 8.77999 11.7523 5.71262 12.1647 7.33225 14.8459 18.1003 9.36796 11.0721 numMergedOcc 0
78 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 13.5597 11.4727 7.17337 12.5452 13.7227 9.78181 5.12599 numMergedOcc 0
79 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 13.5597 11.4727 7.17337 8.80479 9.05071 9.8664 16.1253 numMergedOcc 0
