0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 4.16512 6.91778 9.15528 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 5.26458 5.99972 12.0193 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 10.4181 5.96346 6.86684 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.68517 5.65481 4.7319 5.1333 6.72833 6.51133 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.92687 8.4051 5.11617 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 13.278 8.23446 13.1779 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.40392 8.23069 5.54419 5.12527 8.75662 10.8238 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 7.40392 8.59466 7.36323 8.92687 8.4051 13.2229 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 7.40392 8.59466 7.36323 13.278 8.23446 6.38336 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 7.40392 8.59466 7.36323 5.12527 8.75662 6.7828 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 6.84017 6.16347 9.34396 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 8.94828 14.2406 7.57578 15.5398 7.92503 6.11127 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 8.94828 15.6642 7.17969 6.84017 6.16347 10.8498 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 8.94828 15.6642 7.17969 15.5398 7.92503 5.30154 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 5.33298 8.95682 6.18002 numMergedOcc 0
15 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 5.33298 8.95682 8.38399 numMergedOcc 0
16 mol 43 unq 2 iso 0 dist 8.90024 13.9129 8.80331 13.2914 8.95682 6.18002 numMergedOcc 0
17 mol 43 unq 3 iso 0 dist 8.90024 5.84171 6.20293 13.2914 8.95682 8.38399 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 6.18332 5.93884 5.78774 numMergedOcc 0
19 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 5.40109 9.97159 6.21578 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 11.9655 9.27838 15.434 numMergedOcc 0
21 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 11.9655 9.27838 11.6378 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 9.8079 5.182 7.4729 13.832 6.95572 9.50382 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 9.8079 5.182 7.4729 15.33 7.38677 12.7565 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 9.8079 10.571 6.82344 13.832 6.95572 7.56363 numMergedOcc 0
25 mol 92 unq 3 iso 0 dist 9.8079 10.571 6.82344 15.33 7.38677 5.91004 numMergedOcc 0
26 mol 92 unq 4 iso 0 dist 8.3558 15.1474 7.4729 10.2731 6.95572 9.50382 numMergedOcc 0
27 mol 92 unq 5 iso 0 dist 8.3558 15.1474 7.4729 4.66752 7.38677 12.7565 numMergedOcc 0
28 mol 92 unq 6 iso 0 dist 8.3558 8.66262 6.82344 10.2731 6.95572 7.56363 numMergedOcc 0
29 mol 92 unq 7 iso 0 dist 8.3558 8.66262 6.82344 4.66752 7.38677 5.91004 numMergedOcc 0
30 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 5.04455 9.49454 13.3662 numMergedOcc 0
31 mol 95 unq 1 iso 0 dist 6.86713 7.4052 8.83255 5.04455 9.49454 12.0666 numMergedOcc 0
32 mol 95 unq 2 iso 0 dist 6.86713 9.70895 8.03644 5.04455 9.49454 11.4333 numMergedOcc 0
33 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 15.5475 6.65501 4.4057 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 15.5475 6.65501 7.42446 numMergedOcc 0
35 mol 98 unq 2 iso 0 dist 9.83528 8.06684 6.10456 15.5475 6.65501 9.67482 numMergedOcc 0
36 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 13.2316 6.65501 4.4057 numMergedOcc 0
37 mol 98 unq 4 iso 0 dist 7.54969 10.3366 6.48948 13.2316 6.65501 7.42446 numMergedOcc 0
38 mol 98 unq 5 iso 0 dist 7.54969 5.15322 6.10456 13.2316 6.65501 9.67482 numMergedOcc 0
39 mol 100 unq 0 iso 0 dist 9.61812 11.5079 8.87449 7.76066 7.80975 7.97897 numMergedOcc 0
40 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 5.26309 7.80523 7.74599 numMergedOcc 0
41 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 11.4333 7.80523 7.74599 numMergedOcc 0
42 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 14.0908 7.80523 7.74599 numMergedOcc 0
43 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 8.84017 6.84011 7.436 numMergedOcc 0
44 mol 115 unq 0 iso 0 dist 9.50575 6.68557 5.11551 13.4067 6.92026 6.77806 numMergedOcc 0
45 mol 115 unq 1 iso 0 dist 8.43116 4.96719 5.11551 5.19545 6.92026 6.77806 numMergedOcc 0
46 mol 115 unq 2 iso 0 dist 6.23645 4.96719 7.11972 5.19545 5.88249 6.77806 numMergedOcc 0
47 mol 115 unq 3 iso 0 dist 6.23645 6.47836 6.90986 5.19545 5.88249 5.31484 numMergedOcc 0
48 mol 122 unq 0 iso 0 dist 8.47907 9.75696 8.37808 10.577 8.88537 5.0355 numMergedOcc 0
49 mol 122 unq 1 iso 0 dist 8.47907 9.75696 8.37808 6.9595 9.23819 7.39059 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 9.94179 6.75154 6.5107 4.77149 6.66772 7.12976 numMergedOcc 0
51 mol 133 unq 1 iso 0 dist 9.94179 6.70853 9.52634 4.77149 6.66772 4.34568 numMergedOcc 0
52 mol 133 unq 2 iso 0 dist 8.66715 14.0905 7.11802 5.05981 9.22232 16.0138 numMergedOcc 0
53 mol 133 unq 3 iso 0 dist 8.66715 14.0905 7.11802 17.5205 9.22661 5.92062 numMergedOcc 0
54 mol 133 unq 4 iso 0 dist 8.66715 14.0905 7.11802 15.4908 7.56378 6.61891 numMergedOcc 0
55 mol 133 unq 5 iso 0 dist 8.95433 11.0811 7.11802 13.7968 9.22232 16.0138 numMergedOcc 0
56 mol 133 unq 6 iso 0 dist 8.95433 11.0811 7.11802 12.0166 9.22661 5.92062 numMergedOcc 0
57 mol 133 unq 7 iso 0 dist 8.95433 11.0811 7.11802 5.14992 7.56378 6.61891 numMergedOcc 0
58 mol 134 unq 0 iso 0 dist 4.68975 9.30817 9.89303 6.64576 5.83771 7.41674 numMergedOcc 0
59 mol 134 unq 1 iso 0 dist 4.9155 9.30817 6.54501 6.64576 7.80532 7.41674 numMergedOcc 0
60 mol 134 unq 2 iso 0 dist 4.9155 10.879 6.49416 6.64576 7.80532 9.87376 numMergedOcc 0
61 mol 134 unq 3 iso 0 dist 8.49987 6.47843 6.54501 5.54455 7.80532 7.41674 numMergedOcc 0
62 mol 134 unq 4 iso 0 dist 8.49987 10.9399 6.49416 5.54455 7.80532 9.87376 numMergedOcc 0
63 mol 134 unq 5 iso 0 dist 9.42271 6.16353 6.54501 5.87436 7.80532 7.41674 numMergedOcc 0
64 mol 134 unq 6 iso 0 dist 9.42271 7.07625 6.49416 5.87436 7.80532 9.87376 numMergedOcc 0
65 mol 134 unq 7 iso 0 dist 5.79157 13.0109 9.86662 12.2847 9.94764 4.57832 numMergedOcc 0
66 mol 134 unq 8 iso 0 dist 5.79157 14.1608 9.71307 12.2847 9.94764 5.29786 numMergedOcc 0
67 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 5.03999 6.46704 4.43096 numMergedOcc 0
68 mol 181 unq 1 iso 0 dist 9.74465 8.42326 8.03334 13.5125 6.59025 8.04639 numMergedOcc 0
69 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 10.0244 8.73217 11.7429 numMergedOcc 0
70 mol 197 unq 0 iso 0 dist 7.70631 12.7195 8.56633 14.5203 7.50013 8.46623 numMergedOcc 0
71 mol 197 unq 1 iso 0 dist 7.70631 12.7195 8.56633 11.199 5.81233 10.7305 numMergedOcc 0
72 mol 197 unq 2 iso 0 dist 7.70631 12.7195 8.56633 12.0358 6.92924 5.41996 numMergedOcc 0
73 mol 197 unq 3 iso 0 dist 7.70631 12.7195 8.56633 7.10431 7.14306 6.64537 numMergedOcc 0
74 mol 205 unq 0 iso 0 dist 8.57514 5.56395 9.61492 7.35197 4.8668 9.13652 numMergedOcc 0
75 mol 205 unq 1 iso 0 dist 8.57514 12.397 7.45763 7.35197 4.8668 5.8535 numMergedOcc 0
76 mol 205 unq 2 iso 0 dist 6.11505 9.35174 9.61492 5.68053 4.8668 9.13652 numMergedOcc 0
77 mol 205 unq 3 iso 0 dist 6.11505 11.3225 7.45763 5.68053 4.8668 5.8535 numMergedOcc 0
78 mol 209 unq 0 iso 0 dist 5.92907 5.35615 7.56373 9.57857 6.85935 6.552 numMergedOcc 0
79 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 5.06328 7.10826 5.87279 numMergedOcc 0
80 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 6.7597 8.66332 6.65022 numMergedOcc 0
81 mol 229 unq 1 iso 0 dist 8.53615 6.81165 8.22528 5.3298 8.66332 6.65022 numMergedOcc 0
82 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 6.46271 7.79066 9.0443 numMergedOcc 0
83 mol 231 unq 1 iso 0 dist 6.02527 7.6832 8.40182 6.46271 7.79066 12.1512 numMergedOcc 0
84 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 5.70548 9.05071 8.80479 numMergedOcc 0
85 mol 235 unq 0 iso 0 dist 7.8128 5.49043 5.4638 12.5723 9.55668 7.60081 numMergedOcc 0
86 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 15.4125 8.84636 4.30299 numMergedOcc 0
87 mol 241 unq 0 iso 0 dist 8.23536 5.50714 7.4631 4.45211 7.89524 4.45049 numMergedOcc 0
88 mol 241 unq 1 iso 0 dist 6.90245 5.3674 7.4631 5.69979 7.89524 4.45049 numMergedOcc 0
89 mol 243 unq 0 iso 0 dist 7.80612 9.62983 8.23192 9.85403 8.76935 6.60697 numMergedOcc 0
90 mol 243 unq 1 iso 0 dist 7.80612 9.62983 8.23192 7.14241 8.47652 4.26017 numMergedOcc 0
91 mol 264 unq 0 iso 0 dist 7.37999 4.72487 9.361 10.9458 7.16853 11.1431 numMergedOcc 0
92 mol 264 unq 1 iso 0 dist 7.37999 11.0659 6.24356 10.9458 7.16853 5.00209 numMergedOcc 0
93 mol 264 unq 2 iso 0 dist 7.36703 5.28781 9.361 6.24807 7.16853 11.1431 numMergedOcc 0
94 mol 264 unq 3 iso 0 dist 7.36703 5.91731 6.24356 6.24807 7.16853 5.00209 numMergedOcc 0
95 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 8.85159 9.85289 6.20558 numMergedOcc 0
96 mol 274 unq 1 iso 0 dist 9.13226 11.3302 8.49997 8.85159 9.85289 11.4459 numMergedOcc 0
97 mol 278 unq 0 iso 0 dist 9.91518 12.8387 8.44326 11.8916 8.00673 4.97614 numMergedOcc 0
