0 mol 7 unq 0 iso 0 dist 6.02702 11.8172 8.72114 15.9584 9.97624 10.515 6.55304 6.14469 6.34041 13.0969 9.60499 8.43473 11.0773 13.2603 6.7985 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.72114 11.8172 6.02702 10.515 9.97624 15.9584 6.34041 6.14469 6.55304 13.0969 11.0773 8.43473 9.60499 13.2603 6.7985 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.02702 11.8172 8.72114 15.9584 9.97624 10.515 6.55304 6.14469 6.34041 13.0969 10.6581 5.03847 10.5461 6.36911 9.68596 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 8.72114 11.8172 6.02702 10.515 9.97624 15.9584 6.34041 6.14469 6.55304 13.0969 10.5461 5.03847 10.6581 6.36911 9.68596 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 6.67334 6.50647 6.29685 10.1154 6.03257 4.29582 6.19131 11.3543 9.75966 9.88835 9.29358 5.89412 numMergedOcc 0
5 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 6.29685 6.50647 6.67334 4.29582 6.03257 10.1154 6.19131 9.88835 9.75966 11.3543 9.29358 5.89412 numMergedOcc 0
6 mol 15 unq 1 iso 0 dist 6.42748 11.7498 7.48342 6.67334 6.50647 6.29685 10.1154 6.03257 4.29582 6.19131 10.6338 4.39605 8.38064 10.2062 7.07399 numMergedOcc 0
7 mol 15 unq 1 iso 1 dist 7.48342 11.7498 6.42748 6.29685 6.50647 6.67334 4.29582 6.03257 10.1154 6.19131 8.38064 4.39605 10.6338 10.2062 7.07399 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 8.40416 7.67038 7.75618 6.74265 7.02548 5.5841 4.64838 9.95212 4.97119 5.90856 8.4674 9.74255 4.54938 9.58539 6.41575 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 7.75618 7.67038 8.40416 5.5841 7.02548 6.74265 4.97119 9.95212 4.64838 5.90856 4.54938 9.74255 8.4674 9.58539 6.41575 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 8.40416 7.67038 7.75618 6.74265 7.02548 5.5841 4.64838 9.95212 4.97119 5.90856 4.51865 7.08342 6.864 8.58657 6.41423 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 7.75618 7.67038 8.40416 5.5841 7.02548 6.74265 4.97119 9.95212 4.64838 5.90856 6.864 7.08342 4.51865 8.58657 6.41423 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 6.41575 5.80928 6.41423 5.14627 5.82366 4.69858 9.74255 9.95212 7.08342 11.4087 8.4674 4.64838 4.51865 6.20943 8.40416 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 6.41423 5.80928 6.41575 4.69858 5.82366 5.14627 7.08342 9.95212 9.74255 11.4087 4.51865 4.64838 8.4674 6.20943 8.40416 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 6.41575 5.80928 6.41423 5.14627 5.82366 4.69858 9.74255 9.95212 7.08342 11.4087 4.54938 4.97119 6.864 7.82528 7.75618 numMergedOcc 0
15 mol 19 unq 3 iso 1 dist 6.41423 5.80928 6.41575 4.69858 5.82366 5.14627 7.08342 9.95212 9.74255 11.4087 6.864 4.97119 4.54938 7.82528 7.75618 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 6.7117 8.40073 4.47349 8.70415 6.0129 10.0962 4.4057 6.88901 9.67482 5.71029 5.08437 7.06961 6.10456 10.417 6.65501 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 4.47349 8.40073 6.7117 10.0962 6.0129 8.70415 9.67482 6.88901 4.4057 5.71029 6.10456 7.06961 5.08437 10.417 6.65501 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 6.7117 10.2427 5.65185 8.70415 6.0129 11.2452 4.4057 6.88901 12.0974 5.71029 5.08437 7.06961 10.1136 10.417 6.65501 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 5.65185 10.2427 6.7117 11.2452 6.0129 8.70415 12.0974 6.88901 4.4057 5.71029 10.1136 7.06961 5.08437 10.417 6.65501 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 4.47349 5.02887 5.65185 10.0962 6.0129 11.2452 9.67482 6.88901 12.0974 5.71029 6.10456 7.06961 10.1136 10.417 6.65501 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 5.65185 5.02887 4.47349 11.2452 6.0129 10.0962 12.0974 6.88901 9.67482 5.71029 10.1136 7.06961 6.10456 10.417 6.65501 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 6.69989 8.55616 5.3585 7.41674 6.40575 9.87376 10.6595 9.89303 4.60632 9.93925 12.7291 5.83771 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 5.3585 8.55616 6.69989 9.87376 6.40575 7.41674 10.6595 9.93925 4.60632 9.89303 12.7291 5.83771 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 7.69991 5.00526 6.23142 6.69989 8.55616 5.3585 7.41674 6.40575 9.87376 10.6595 6.54501 5.71679 6.49416 10.9685 7.80532 numMergedOcc 0
25 mol 134 unq 1 iso 1 dist 6.23142 5.00526 7.69991 5.3585 8.55616 6.69989 9.87376 6.40575 7.41674 10.6595 6.49416 5.71679 6.54501 10.9685 7.80532 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 7.69991 5.00526 6.23142 10.1448 8.73604 5.41704 7.41674 6.40575 9.87376 14.1488 9.89303 4.60632 9.93925 12.0514 5.83771 numMergedOcc 0
27 mol 134 unq 2 iso 1 dist 6.23142 5.00526 7.69991 5.41704 8.73604 10.1448 9.87376 6.40575 7.41674 14.1488 9.93925 4.60632 9.89303 12.0514 5.83771 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.69991 5.00526 6.23142 10.1448 8.73604 5.41704 7.41674 6.40575 9.87376 14.1488 6.54501 5.71679 6.49416 8.6355 7.80532 numMergedOcc 0
29 mol 134 unq 3 iso 1 dist 6.23142 5.00526 7.69991 5.41704 8.73604 10.1448 9.87376 6.40575 7.41674 14.1488 6.49416 5.71679 6.54501 8.6355 7.80532 numMergedOcc 0
30 mol 134 unq 4 iso 0 dist 7.69991 11.3271 9.94764 6.69989 8.55616 6.74887 7.41674 6.40575 14.9876 10.6595 9.89303 4.60632 14.423 12.7291 5.83771 numMergedOcc 0
31 mol 134 unq 4 iso 1 dist 9.94764 11.3271 7.69991 6.74887 8.55616 6.69989 14.9876 6.40575 7.41674 10.6595 14.423 4.60632 9.89303 12.7291 5.83771 numMergedOcc 0
32 mol 134 unq 5 iso 0 dist 7.69991 11.3271 9.94764 6.69989 8.55616 6.74887 7.41674 6.40575 14.9876 10.6595 6.54501 5.71679 12.5075 10.9685 7.80532 numMergedOcc 0
33 mol 134 unq 5 iso 1 dist 9.94764 11.3271 7.69991 6.74887 8.55616 6.69989 14.9876 6.40575 7.41674 10.6595 12.5075 5.71679 6.54501 10.9685 7.80532 numMergedOcc 0
34 mol 134 unq 6 iso 0 dist 7.69991 11.3271 9.94764 10.1448 8.73604 6.17103 7.41674 6.40575 14.9876 14.1488 9.89303 4.60632 14.423 12.0514 5.83771 numMergedOcc 0
35 mol 134 unq 6 iso 1 dist 9.94764 11.3271 7.69991 6.17103 8.73604 10.1448 14.9876 6.40575 7.41674 14.1488 14.423 4.60632 9.89303 12.0514 5.83771 numMergedOcc 0
36 mol 134 unq 7 iso 0 dist 7.69991 11.3271 9.94764 10.1448 8.73604 6.17103 7.41674 6.40575 14.9876 14.1488 6.54501 5.71679 12.5075 8.6355 7.80532 numMergedOcc 0
37 mol 134 unq 7 iso 1 dist 9.94764 11.3271 7.69991 6.17103 8.73604 10.1448 14.9876 6.40575 7.41674 14.1488 12.5075 5.71679 6.54501 8.6355 7.80532 numMergedOcc 0
38 mol 134 unq 4 iso 0 dist 6.23142 6.81259 9.94764 5.3585 8.55616 6.74887 9.87376 6.40575 14.9876 10.6595 9.93925 4.60632 14.423 12.7291 5.83771 numMergedOcc 0
39 mol 134 unq 4 iso 1 dist 9.94764 6.81259 6.23142 6.74887 8.55616 5.3585 14.9876 6.40575 9.87376 10.6595 14.423 4.60632 9.93925 12.7291 5.83771 numMergedOcc 0
40 mol 134 unq 5 iso 0 dist 6.23142 6.81259 9.94764 5.3585 8.55616 6.74887 9.87376 6.40575 14.9876 10.6595 6.49416 5.71679 12.5075 10.9685 7.80532 numMergedOcc 0
41 mol 134 unq 5 iso 1 dist 9.94764 6.81259 6.23142 6.74887 8.55616 5.3585 14.9876 6.40575 9.87376 10.6595 12.5075 5.71679 6.49416 10.9685 7.80532 numMergedOcc 0
42 mol 134 unq 6 iso 0 dist 6.23142 6.81259 9.94764 5.41704 8.73604 6.17103 9.87376 6.40575 14.9876 14.1488 9.93925 4.60632 14.423 12.0514 5.83771 numMergedOcc 0
43 mol 134 unq 6 iso 1 dist 9.94764 6.81259 6.23142 6.17103 8.73604 5.41704 14.9876 6.40575 9.87376 14.1488 14.423 4.60632 9.93925 12.0514 5.83771 numMergedOcc 0
44 mol 134 unq 7 iso 0 dist 6.23142 6.81259 9.94764 5.41704 8.73604 6.17103 9.87376 6.40575 14.9876 14.1488 6.49416 5.71679 12.5075 8.6355 7.80532 numMergedOcc 0
45 mol 134 unq 7 iso 1 dist 9.94764 6.81259 6.23142 6.17103 8.73604 5.41704 14.9876 6.40575 9.87376 14.1488 12.5075 5.71679 6.49416 8.6355 7.80532 numMergedOcc 0
46 mol 156 unq 0 iso 0 dist 9.44367 5.56175 7.90267 7.29758 5.81122 8.67156 5.71511 8.37434 6.13574 5.05683 7.44554 5.4555 8.94056 6.27641 9.4013 numMergedOcc 0
47 mol 156 unq 0 iso 1 dist 7.90267 5.56175 9.44367 8.67156 5.81122 7.29758 6.13574 8.37434 5.71511 5.05683 8.94056 5.4555 7.44554 6.27641 9.4013 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 6.2479 6.01247 6.22122 6.25083 9.06217 10.5753 4.43096 7.32087 6.06566 10.6325 8.03334 7.81713 10.9639 12.1309 6.46704 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 6.22122 6.01247 6.2479 10.5753 9.06217 6.25083 6.06566 7.32087 4.43096 10.6325 10.9639 7.81713 8.03334 12.1309 6.46704 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 6.2479 6.01247 6.22122 6.25083 9.06217 10.5753 8.04639 8.86197 13.0409 8.15174 8.03334 7.81713 10.9639 12.1309 6.59025 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 6.22122 6.01247 6.2479 10.5753 9.06217 6.25083 13.0409 8.86197 8.04639 8.15174 10.9639 7.81713 8.03334 12.1309 6.59025 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 6.2479 6.01247 6.22122 4.77278 7.13252 5.88819 4.43096 7.32087 6.06566 8.45963 8.03334 7.81713 10.9639 12.2058 6.46704 numMergedOcc 0
53 mol 181 unq 2 iso 1 dist 6.22122 6.01247 6.2479 5.88819 7.13252 4.77278 6.06566 7.32087 4.43096 8.45963 10.9639 7.81713 8.03334 12.2058 6.46704 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 6.2479 6.01247 6.22122 4.77278 7.13252 5.88819 8.04639 8.86197 13.0409 11.047 8.03334 7.81713 10.9639 12.2058 6.59025 numMergedOcc 0
55 mol 181 unq 3 iso 1 dist 6.22122 6.01247 6.2479 5.88819 7.13252 4.77278 13.0409 8.86197 8.04639 11.047 10.9639 7.81713 8.03334 12.2058 6.59025 numMergedOcc 0
56 mol 181 unq 4 iso 0 dist 6.2479 8.88798 7.99195 6.25083 9.06217 5.86342 4.43096 7.32087 12.2164 10.6325 8.03334 7.81713 10.7062 12.1309 6.46704 numMergedOcc 0
57 mol 181 unq 4 iso 1 dist 7.99195 8.88798 6.2479 5.86342 9.06217 6.25083 12.2164 7.32087 4.43096 10.6325 10.7062 7.81713 8.03334 12.1309 6.46704 numMergedOcc 0
58 mol 181 unq 5 iso 0 dist 6.2479 8.88798 7.99195 6.25083 9.06217 5.86342 8.04639 8.86197 5.77299 8.15174 8.03334 7.81713 10.7062 12.1309 6.59025 numMergedOcc 0
59 mol 181 unq 5 iso 1 dist 7.99195 8.88798 6.2479 5.86342 9.06217 6.25083 5.77299 8.86197 8.04639 8.15174 10.7062 7.81713 8.03334 12.1309 6.59025 numMergedOcc 0
60 mol 181 unq 6 iso 0 dist 6.2479 8.88798 7.99195 4.77278 7.13252 9.14057 4.43096 7.32087 12.2164 8.45963 8.03334 7.81713 10.7062 12.2058 6.46704 numMergedOcc 0
61 mol 181 unq 6 iso 1 dist 7.99195 8.88798 6.2479 9.14057 7.13252 4.77278 12.2164 7.32087 4.43096 8.45963 10.7062 7.81713 8.03334 12.2058 6.46704 numMergedOcc 0
62 mol 181 unq 7 iso 0 dist 6.2479 8.88798 7.99195 4.77278 7.13252 9.14057 8.04639 8.86197 5.77299 11.047 8.03334 7.81713 10.7062 12.2058 6.59025 numMergedOcc 0
63 mol 181 unq 7 iso 1 dist 7.99195 8.88798 6.2479 9.14057 7.13252 4.77278 5.77299 8.86197 8.04639 11.047 10.7062 7.81713 8.03334 12.2058 6.59025 numMergedOcc 0
64 mol 181 unq 4 iso 0 dist 6.22122 12.6324 7.99195 10.5753 9.06217 5.86342 6.06566 7.32087 12.2164 10.6325 10.9639 7.81713 10.7062 12.1309 6.46704 numMergedOcc 0
65 mol 181 unq 4 iso 1 dist 7.99195 12.6324 6.22122 5.86342 9.06217 10.5753 12.2164 7.32087 6.06566 10.6325 10.7062 7.81713 10.9639 12.1309 6.46704 numMergedOcc 0
66 mol 181 unq 5 iso 0 dist 6.22122 12.6324 7.99195 10.5753 9.06217 5.86342 13.0409 8.86197 5.77299 8.15174 10.9639 7.81713 10.7062 12.1309 6.59025 numMergedOcc 0
67 mol 181 unq 5 iso 1 dist 7.99195 12.6324 6.22122 5.86342 9.06217 10.5753 5.77299 8.86197 13.0409 8.15174 10.7062 7.81713 10.9639 12.1309 6.59025 numMergedOcc 0
68 mol 181 unq 6 iso 0 dist 6.22122 12.6324 7.99195 5.88819 7.13252 9.14057 6.06566 7.32087 12.2164 8.45963 10.9639 7.81713 10.7062 12.2058 6.46704 numMergedOcc 0
69 mol 181 unq 6 iso 1 dist 7.99195 12.6324 6.22122 9.14057 7.13252 5.88819 12.2164 7.32087 6.06566 8.45963 10.7062 7.81713 10.9639 12.2058 6.46704 numMergedOcc 0
70 mol 181 unq 7 iso 0 dist 6.22122 12.6324 7.99195 5.88819 7.13252 9.14057 13.0409 8.86197 5.77299 11.047 10.9639 7.81713 10.7062 12.2058 6.59025 numMergedOcc 0
71 mol 181 unq 7 iso 1 dist 7.99195 12.6324 6.22122 9.14057 7.13252 5.88819 5.77299 8.86197 13.0409 11.047 10.7062 7.81713 10.9639 12.2058 6.59025 numMergedOcc 0
72 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 8.78722 7.17337 13.5597 12.3508 9.8664 8.80479 16.1253 10.5803 4.9377 8.27212 11.4727 9.05071 numMergedOcc 0
73 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 13.5597 7.17337 8.78722 8.80479 9.8664 12.3508 16.1253 8.27212 4.9377 10.5803 11.4727 9.05071 numMergedOcc 0
74 mol 238 unq 0 iso 0 dist 8.94014 5.6348 7.02333 10.8635 7.04753 5.68826 5.50308 5.92374 7.11984 9.71156 13.9668 8.1195 12.8275 10.924 8.69104 numMergedOcc 0
75 mol 238 unq 0 iso 1 dist 7.02333 5.6348 8.94014 5.68826 7.04753 10.8635 7.11984 5.92374 5.50308 9.71156 12.8275 8.1195 13.9668 10.924 8.69104 numMergedOcc 0
76 mol 238 unq 1 iso 0 dist 8.94014 8.87326 8.67864 10.8635 7.04753 4.87097 5.50308 5.92374 7.95232 9.71156 13.9668 8.1195 10.7456 10.924 8.69104 numMergedOcc 0
77 mol 238 unq 1 iso 1 dist 8.67864 8.87326 8.94014 4.87097 7.04753 10.8635 7.95232 5.92374 5.50308 9.71156 10.7456 8.1195 13.9668 10.924 8.69104 numMergedOcc 0
78 mol 238 unq 1 iso 0 dist 7.02333 5.31152 8.67864 5.68826 7.04753 4.87097 7.11984 5.92374 7.95232 9.71156 12.8275 8.1195 10.7456 10.924 8.69104 numMergedOcc 0
79 mol 238 unq 1 iso 1 dist 8.67864 5.31152 7.02333 4.87097 7.04753 5.68826 7.95232 5.92374 7.11984 9.71156 10.7456 8.1195 12.8275 10.924 8.69104 numMergedOcc 0
80 mol 271 unq 0 iso 0 dist 8.98576 7.04094 8.92636 6.78222 5.81266 6.20098 5.53238 5.92274 9.1619 4.51983 15.085 8.66946 16.6378 11.1285 9.70714 numMergedOcc 0
81 mol 271 unq 0 iso 1 dist 8.92636 7.04094 8.98576 6.20098 5.81266 6.78222 9.1619 5.92274 5.53238 4.51983 16.6378 8.66946 15.085 11.1285 9.70714 numMergedOcc 0
82 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 4.89568 8.68913 5.14347 12.0136 7.16346 12.1851 13.9948 13.3579 4.60101 13.4294 12.7608 8.49177 numMergedOcc 0
83 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 5.14347 8.68913 4.89568 12.1851 7.16346 12.0136 13.9948 13.4294 4.60101 13.3579 12.7608 8.49177 numMergedOcc 0
