0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 15.9584 13.2603 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 10.515 9.36807 9.97624 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 5.60154 8.47421 9.57198 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 8.05213 12.2274 8.73067 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 6.29685 10.2062 6.50647 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 9.97507 7.48342 12.1303 6.29685 15.3099 6.50647 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 5.5841 9.80108 7.02548 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 6.74265 9.58539 7.02548 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.4674 6.41575 4.64838 5.14627 6.20943 5.82366 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 4.54938 7.75618 9.74255 5.5841 9.58539 7.02548 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 4.54938 6.41575 4.97119 5.14627 7.82528 5.82366 numMergedOcc 0
11 mol 19 unq 5 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 numMergedOcc 0
12 mol 19 unq 6 iso 0 dist 4.51865 8.40416 7.08342 6.74265 8.58657 7.02548 numMergedOcc 0
13 mol 19 unq 7 iso 0 dist 4.51865 6.41423 4.64838 4.69858 6.20943 5.82366 numMergedOcc 0
14 mol 19 unq 8 iso 0 dist 6.864 7.75618 7.08342 5.5841 8.58657 7.02548 numMergedOcc 0
15 mol 19 unq 9 iso 0 dist 6.864 6.41423 4.97119 4.69858 7.82528 5.82366 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 5.04899 9.01548 13.9331 4.70708 9.43699 6.63839 numMergedOcc 0
17 mol 25 unq 1 iso 0 dist 6.03987 6.85556 5.68392 5.09159 10.7177 9.62401 numMergedOcc 0
18 mol 41 unq 0 iso 0 dist 6.19529 8.51663 8.94326 5.0364 9.68811 6.42834 numMergedOcc 0
19 mol 54 unq 0 iso 0 dist 6.83299 6.14538 4.29856 5.06052 5.02241 6.30987 numMergedOcc 0
20 mol 56 unq 0 iso 0 dist 8.66265 7.16773 6.63327 6.28202 11.465 5.84875 numMergedOcc 0
21 mol 58 unq 0 iso 0 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 7.32874 7.21955 7.12541 6.75888 6.40841 8.71468 numMergedOcc 0
23 mol 58 unq 2 iso 0 dist 6.86465 8.80614 10.2049 13.9007 17.4911 7.6481 numMergedOcc 0
24 mol 58 unq 3 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 numMergedOcc 0
25 mol 58 unq 4 iso 0 dist 6.62496 8.80614 9.95364 13.9007 16.3613 7.6481 numMergedOcc 0
26 mol 58 unq 5 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 numMergedOcc 0
27 mol 58 unq 6 iso 0 dist 6.35756 8.80614 5.49591 13.9007 12.7237 7.6481 numMergedOcc 0
28 mol 58 unq 7 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 numMergedOcc 0
29 mol 58 unq 8 iso 0 dist 9.55426 7.21955 5.74871 6.75888 6.31428 8.71468 numMergedOcc 0
30 mol 59 unq 0 iso 0 dist 7.71095 6.73347 9.64444 5.33688 6.71911 9.2902 numMergedOcc 0
31 mol 59 unq 1 iso 0 dist 8.84665 6.73347 4.36133 5.33688 12.8699 9.2902 numMergedOcc 0
32 mol 59 unq 2 iso 0 dist 8.25513 6.73347 6.66692 5.33688 11.6249 9.2902 numMergedOcc 0
33 mol 61 unq 0 iso 0 dist 6.65721 9.25641 13.5488 5.94559 11.7721 7.46994 numMergedOcc 0
34 mol 64 unq 0 iso 0 dist 9.67592 9.97159 6.21578 5.3948 8.68586 9.32552 numMergedOcc 0
35 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 7.41074 8.70133 7.10439 numMergedOcc 0
36 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 7.41074 4.65521 7.10439 numMergedOcc 0
37 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 numMergedOcc 0
38 mol 85 unq 0 iso 0 dist 7.97049 9.82915 9.29301 15.8792 13.9302 6.05495 numMergedOcc 0
39 mol 85 unq 1 iso 0 dist 7.47541 9.82915 13.5116 15.8792 18.8901 6.05495 numMergedOcc 0
40 mol 92 unq 0 iso 0 dist 7.4729 6.95572 9.50382 9.32974 10.6071 6.72712 numMergedOcc 0
41 mol 92 unq 1 iso 0 dist 7.4729 6.95572 9.50382 6.99832 5.81965 5.39745 numMergedOcc 0
42 mol 92 unq 2 iso 0 dist 6.82344 6.95572 7.56363 9.32974 13.3102 6.72712 numMergedOcc 0
43 mol 92 unq 3 iso 0 dist 6.82344 6.95572 7.56363 6.99832 9.70512 5.39745 numMergedOcc 0
44 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.70415 10.417 6.0129 numMergedOcc 0
45 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 10.0962 10.417 6.0129 numMergedOcc 0
46 mol 114 unq 0 iso 0 dist 7.5732 6.84011 7.436 5.31367 12.383 8.809 numMergedOcc 0
47 mol 114 unq 1 iso 0 dist 7.5732 6.84011 7.436 8.88748 11.5084 5.79343 numMergedOcc 0
48 mol 126 unq 0 iso 0 dist 6.06638 6.30546 6.0268 7.01257 7.75534 7.36017 numMergedOcc 0
49 mol 131 unq 0 iso 0 dist 6.85062 8.70296 14.2045 7.90484 14.3377 9.2235 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 7.11802 9.22232 16.0138 12.0863 16.3407 8.21165 numMergedOcc 0
51 mol 133 unq 1 iso 0 dist 7.11802 9.22661 5.92062 4.68409 7.92688 6.51868 numMergedOcc 0
52 mol 133 unq 2 iso 0 dist 7.11802 7.56378 6.61891 4.68409 7.92688 7.34698 numMergedOcc 0
53 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 6.69989 12.7291 8.55616 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 numMergedOcc 0
55 mol 134 unq 2 iso 0 dist 6.54501 7.69991 5.71679 6.69989 10.9685 8.55616 numMergedOcc 0
56 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 10.1448 8.6355 8.73604 numMergedOcc 0
57 mol 134 unq 4 iso 0 dist 8.94367 6.23142 4.57832 5.3585 11.2292 8.55616 numMergedOcc 0
58 mol 134 unq 5 iso 0 dist 8.94367 6.23142 4.57832 5.41704 8.79571 8.73604 numMergedOcc 0
59 mol 134 unq 6 iso 0 dist 6.37586 6.23142 5.29786 5.3585 10.9613 8.55616 numMergedOcc 0
60 mol 134 unq 7 iso 0 dist 6.37586 6.23142 5.29786 5.41704 5.42582 8.73604 numMergedOcc 0
61 mol 134 unq 8 iso 0 dist 6.49416 6.23142 5.71679 5.3585 10.9685 8.55616 numMergedOcc 0
62 mol 134 unq 9 iso 0 dist 6.49416 6.23142 5.71679 5.41704 8.6355 8.73604 numMergedOcc 0
63 mol 134 unq 10 iso 0 dist 9.86662 9.94764 4.57832 6.74887 11.2292 8.55616 numMergedOcc 0
64 mol 134 unq 11 iso 0 dist 9.86662 9.94764 4.57832 6.17103 8.79571 8.73604 numMergedOcc 0
65 mol 134 unq 12 iso 0 dist 9.71307 9.94764 5.29786 6.74887 10.9613 8.55616 numMergedOcc 0
66 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 6.17103 5.42582 8.73604 numMergedOcc 0
67 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 10.0989 9.60643 6.97487 numMergedOcc 0
68 mol 143 unq 1 iso 0 dist 5.99315 7.78652 6.48978 6.01455 9.27292 6.46089 numMergedOcc 0
69 mol 155 unq 0 iso 0 dist 6.43582 7.92304 5.50031 6.34186 7.51198 9.80845 numMergedOcc 0
70 mol 156 unq 0 iso 0 dist 8.34702 7.30357 10.4977 5.07967 10.7757 7.30946 numMergedOcc 0
71 mol 156 unq 1 iso 0 dist 7.44554 9.44367 5.4555 7.29758 6.27641 5.81122 numMergedOcc 0
72 mol 156 unq 2 iso 0 dist 7.66148 7.90267 6.03934 8.67156 10.9818 5.81122 numMergedOcc 0
73 mol 156 unq 3 iso 0 dist 8.94056 7.90267 5.4555 8.67156 6.27641 5.81122 numMergedOcc 0
74 mol 156 unq 4 iso 0 dist 9.06726 7.30357 12.3086 5.07967 13.5803 7.30946 numMergedOcc 0
75 mol 156 unq 5 iso 0 dist 8.33171 7.30357 7.79535 5.07967 11.7927 7.30946 numMergedOcc 0
76 mol 167 unq 0 iso 0 dist 9.87651 9.67741 13.0123 6.36909 15.1367 7.80054 numMergedOcc 0
77 mol 175 unq 0 iso 0 dist 6.57069 9.77896 8.29015 7.5414 9.8589 5.4997 numMergedOcc 0
78 mol 181 unq 0 iso 0 dist 9.1374 8.90963 8.91338 8.25067 13.2702 5.95304 numMergedOcc 0
79 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 6.25083 6.94688 9.06217 numMergedOcc 0
80 mol 181 unq 2 iso 0 dist 9.1374 6.2479 6.6251 4.77278 6.71012 7.13252 numMergedOcc 0
81 mol 181 unq 3 iso 0 dist 8.03334 6.59025 8.04639 7.07409 10.7636 6.32777 numMergedOcc 0
82 mol 181 unq 4 iso 0 dist 8.03334 6.2479 7.81713 6.25083 12.1309 9.06217 numMergedOcc 0
83 mol 181 unq 5 iso 0 dist 8.03334 6.2479 7.81713 4.77278 12.2058 7.13252 numMergedOcc 0
84 mol 181 unq 6 iso 0 dist 5.98885 8.90963 9.81073 8.25067 10.8351 5.95304 numMergedOcc 0
85 mol 181 unq 7 iso 0 dist 5.98885 7.99195 6.6251 5.86342 6.94688 9.06217 numMergedOcc 0
86 mol 181 unq 8 iso 0 dist 5.98885 7.99195 6.6251 9.14057 6.71012 7.13252 numMergedOcc 0
87 mol 181 unq 9 iso 0 dist 9.09537 7.99195 10.09 5.86342 14.4632 9.06217 numMergedOcc 0
88 mol 181 unq 10 iso 0 dist 9.09537 7.99195 10.09 9.14057 15.4777 7.13252 numMergedOcc 0
89 mol 181 unq 11 iso 0 dist 9.15386 8.90963 9.34211 8.25067 9.6668 5.95304 numMergedOcc 0
90 mol 181 unq 12 iso 0 dist 7.81386 5.94469 7.77758 6.7991 4.93785 7.05653 numMergedOcc 0
91 mol 181 unq 13 iso 0 dist 7.63312 5.9176 5.63555 9.60512 7.98142 5.97685 numMergedOcc 0
92 mol 181 unq 14 iso 0 dist 7.63312 5.9176 5.63555 13.3389 7.37327 8.9289 numMergedOcc 0
93 mol 181 unq 15 iso 0 dist 7.63312 5.94469 12.5387 6.7991 10.1232 7.05653 numMergedOcc 0
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96 mol 192 unq 1 iso 0 dist 7.00794 8.77999 11.7523 5.71262 12.1647 7.33225 numMergedOcc 0
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98 mol 224 unq 1 iso 0 dist 6.61986 9.51597 12.4692 7.67202 12.6391 8.08737 numMergedOcc 0
99 mol 227 unq 0 iso 0 dist 9.34734 5.41321 10.7656 6.43754 12.4085 7.57454 numMergedOcc 0
100 mol 227 unq 1 iso 0 dist 7.22101 5.41321 10.9607 6.43754 8.17891 7.57454 numMergedOcc 0
101 mol 227 unq 2 iso 0 dist 8.65997 5.41321 9.72615 6.43754 6.95902 7.57454 numMergedOcc 0
102 mol 227 unq 3 iso 0 dist 7.56888 5.41321 5.10635 6.43754 11.004 7.57454 numMergedOcc 0
103 mol 227 unq 4 iso 0 dist 7.55216 5.41321 6.48027 6.43754 12.8864 7.57454 numMergedOcc 0
104 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 13.5597 11.4727 7.17337 numMergedOcc 0
105 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 5.9221 13.651 7.43663 numMergedOcc 0
106 mol 234 unq 1 iso 0 dist 8.41436 7.32499 10.7902 13.2297 18.6592 7.94068 numMergedOcc 0
107 mol 234 unq 2 iso 0 dist 8.92474 7.32499 4.4288 5.9221 10.521 7.43663 numMergedOcc 0
108 mol 234 unq 3 iso 0 dist 8.92474 7.32499 4.4288 13.2297 11.4702 7.94068 numMergedOcc 0
109 mol 235 unq 0 iso 0 dist 5.4638 9.55668 7.60081 4.65302 8.21247 7.95766 numMergedOcc 0
110 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 11.0401 14.1514 8.90076 numMergedOcc 0
111 mol 238 unq 1 iso 0 dist 5.72887 9.24557 14.7883 8.85181 13.9989 6.87131 numMergedOcc 0
112 mol 238 unq 2 iso 0 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 numMergedOcc 0
113 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 11.6195 10.9591 8.71497 numMergedOcc 0
114 mol 259 unq 1 iso 0 dist 7.88519 7.98231 8.81835 11.6195 7.48005 8.71497 numMergedOcc 0
115 mol 259 unq 2 iso 0 dist 7.46176 7.08526 8.81835 5.79468 7.48005 8.71497 numMergedOcc 0
116 mol 264 unq 0 iso 0 dist 6.24356 5.93616 7.52936 5.12409 9.0012 5.91213 numMergedOcc 0
117 mol 264 unq 1 iso 0 dist 6.24356 5.93616 7.52936 9.67998 9.5784 7.34094 numMergedOcc 0
