0 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 10.0411 14.2009 6.38574 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.20519 9.80108 5.5841 10.3996 11.0464 7.40236 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.4674 6.20943 5.14627 4.44441 10.1278 6.38574 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 7.82528 5.14627 10.0411 10.1278 6.38574 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.51865 6.20943 4.69858 4.44441 7.7312 6.38574 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 4.51865 8.58657 6.74265 12.323 11.6815 7.40236 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 6.864 7.82528 4.69858 10.0411 7.7312 6.38574 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 6.864 8.58657 5.5841 12.323 11.0464 7.40236 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.34347 9.16962 11.887 15.962 15.4381 7.84204 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 9.89212 12.3849 9.44125 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 5.84319 12.3849 9.44125 numMergedOcc 0
11 mol 45 unq 2 iso 0 dist 7.58835 6.34173 5.67689 5.84319 8.27463 9.44125 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 8.44881 12.1872 8.88313 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 6.81627 8.26899 5.98837 4.25144 7.4785 5.48837 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 7.32874 8.26899 4.55117 8.44881 8.34191 8.88313 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 7.32874 8.26899 4.55117 4.25144 6.39747 5.48837 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 6.86465 9.58673 5.92889 4.59417 9.23438 8.98478 numMergedOcc 0
17 mol 58 unq 5 iso 0 dist 6.62496 9.58673 10.2241 4.59417 9.9105 8.98478 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 6.35756 9.58673 7.05413 4.59417 7.17488 8.98478 numMergedOcc 0
19 mol 58 unq 7 iso 0 dist 9.55426 8.26899 10.3782 8.44881 9.79064 8.88313 numMergedOcc 0
20 mol 58 unq 8 iso 0 dist 9.55426 8.26899 10.3782 4.25144 10.307 5.48837 numMergedOcc 0
21 mol 70 unq 0 iso 0 dist 9.65964 9.34122 11.0952 6.93285 11.5684 5.48202 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 4.73407 6.23522 7.78587 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 5.93252 5.64598 9.77992 3.85805 9.10566 7.78587 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 9.96396 8.70133 7.41074 4.73407 11.3218 7.78587 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 5.17781 11.3218 7.78587 numMergedOcc 0
26 mol 73 unq 4 iso 0 dist 9.75218 8.70133 15.9882 4.73407 12.8353 7.78587 numMergedOcc 0
27 mol 75 unq 0 iso 0 dist 7.79912 5.15851 10.0425 4.74027 9.16597 7.30467 numMergedOcc 0
28 mol 75 unq 1 iso 0 dist 8.56639 5.15851 11.8774 4.74027 11.7473 7.30467 numMergedOcc 0
29 mol 75 unq 2 iso 0 dist 8.59017 5.15851 10.0372 4.74027 13.2779 7.30467 numMergedOcc 0
30 mol 76 unq 0 iso 0 dist 6.97941 9.49449 6.06861 3.69293 7.61521 8.90522 numMergedOcc 0
31 mol 88 unq 0 iso 0 dist 9.36773 9.2603 6.95868 4.47193 6.65615 9.08952 numMergedOcc 0
32 mol 88 unq 1 iso 0 dist 8.31336 9.2603 6.97239 4.47193 5.07548 9.08952 numMergedOcc 0
33 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 12.3859 9.68271 7.03417 numMergedOcc 0
34 mol 92 unq 1 iso 0 dist 6.82344 9.70512 6.99832 11.3622 9.68271 7.03417 numMergedOcc 0
35 mol 102 unq 0 iso 0 dist 7.36792 9.94856 5.498 3.48119 5.54256 7.68537 numMergedOcc 0
36 mol 114 unq 0 iso 0 dist 7.35754 8.68821 5.33327 10.5728 10.7946 9.26486 numMergedOcc 0
37 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 14.8455 21.5294 9.70065 numMergedOcc 0
38 mol 127 unq 1 iso 0 dist 9.30299 8.59981 14.085 14.8455 17.6043 9.70065 numMergedOcc 0
39 mol 127 unq 2 iso 0 dist 9.30299 9.81878 4.77464 12.7606 5.39356 7.79077 numMergedOcc 0
40 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 4.05822 8.04118 5.69323 numMergedOcc 0
41 mol 142 unq 1 iso 0 dist 5.31024 9.07935 9.49653 4.7832 8.04118 5.69323 numMergedOcc 0
42 mol 142 unq 2 iso 0 dist 7.73169 7.15475 7.53854 4.05822 8.39035 5.69323 numMergedOcc 0
43 mol 142 unq 3 iso 0 dist 7.26382 9.07935 7.53854 4.7832 8.39035 5.69323 numMergedOcc 0
44 mol 142 unq 4 iso 0 dist 8.96657 7.15475 10.3477 4.05822 11.6454 5.69323 numMergedOcc 0
45 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 3.79489 11.8936 8.22067 numMergedOcc 0
46 mol 156 unq 1 iso 0 dist 9.06726 7.36119 7.71144 3.79489 12.1503 8.22067 numMergedOcc 0
47 mol 156 unq 2 iso 0 dist 8.33171 7.36119 9.22231 3.79489 11.8938 8.22067 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.1374 6.71012 4.77278 11.618 11.8368 7.61421 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 5.98885 6.71012 9.14057 11.618 15.9184 7.61421 numMergedOcc 0
50 mol 181 unq 2 iso 0 dist 9.15386 6.71012 11.6919 11.618 17.4077 7.61421 numMergedOcc 0
51 mol 181 unq 3 iso 0 dist 7.81386 4.93785 6.7991 6.13927 8.29467 6.91878 numMergedOcc 0
52 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 11.9685 16.4908 9.77656 numMergedOcc 0
53 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 16.9912 19.1119 9.6071 numMergedOcc 0
54 mol 204 unq 0 iso 0 dist 7.10633 5.90931 5.09262 6.49075 12.9966 9.58537 numMergedOcc 0
55 mol 204 unq 1 iso 0 dist 8.51516 5.90931 12.9483 6.49075 13.0232 9.58537 numMergedOcc 0
56 mol 209 unq 0 iso 0 dist 7.56373 9.52027 6.43758 5.36295 9.98952 8.62439 numMergedOcc 0
57 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 8.3225 12.5607 9.86587 numMergedOcc 0
58 mol 220 unq 0 iso 0 dist 9.41367 7.61951 7.08796 4.86965 13.3238 9.43419 numMergedOcc 0
59 mol 222 unq 0 iso 0 dist 7.54212 7.18956 7.61682 5.2269 12.2548 9.29675 numMergedOcc 0
60 mol 234 unq 0 iso 0 dist 8.34494 6.25105 10.3337 13.8525 16.8561 7.91374 numMergedOcc 0
61 mol 234 unq 1 iso 0 dist 6.56247 6.25105 11.216 13.8525 18.009 7.91374 numMergedOcc 0
62 mol 234 unq 2 iso 0 dist 9.36357 6.25105 11.4315 13.8525 15.3921 7.91374 numMergedOcc 0
63 mol 234 unq 3 iso 0 dist 9.45496 9.5707 15.9563 12.7879 18.009 5.69634 numMergedOcc 0
64 mol 234 unq 4 iso 0 dist 9.45496 7.85175 11.216 12.7879 18.009 7.91374 numMergedOcc 0
65 mol 234 unq 5 iso 0 dist 6.7625 9.5707 14.4106 12.7879 15.3921 5.69634 numMergedOcc 0
66 mol 234 unq 6 iso 0 dist 6.7625 7.85175 11.4315 12.7879 15.3921 7.91374 numMergedOcc 0
67 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 4.75609 8.08965 9.11149 numMergedOcc 0
68 mol 239 unq 0 iso 0 dist 7.00034 7.20082 7.04058 8.19606 10.8831 9.82674 numMergedOcc 0
69 mol 256 unq 0 iso 0 dist 8.29103 5.24676 4.22352 6.73995 8.97872 5.85613 numMergedOcc 0
70 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 6.65799 12.9913 9.28024 numMergedOcc 0
71 mol 259 unq 1 iso 0 dist 7.84554 7.48005 11.8736 6.65799 14.3297 9.28024 numMergedOcc 0
72 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 6.65799 11.9533 9.28024 numMergedOcc 0
73 mol 259 unq 3 iso 0 dist 5.30224 8.37865 5.31048 9.53031 11.1801 9.28024 numMergedOcc 0
74 mol 259 unq 4 iso 0 dist 5.30224 6.77938 4.99891 5.96249 9.18798 8.22608 numMergedOcc 0
75 mol 259 unq 5 iso 0 dist 5.30224 6.77938 4.99891 5.97386 8.25897 5.23503 numMergedOcc 0
76 mol 259 unq 6 iso 0 dist 5.30224 7.76676 5.32839 5.97386 8.25897 9.61028 numMergedOcc 0
77 mol 259 unq 7 iso 0 dist 9.18903 7.48005 12.6649 6.65799 15.5673 9.28024 numMergedOcc 0
78 mol 264 unq 0 iso 0 dist 9.361 9.5784 9.85579 11.147 11.9373 8.56867 numMergedOcc 0
79 mol 264 unq 1 iso 0 dist 9.361 9.5784 9.85579 10.0018 11.9269 6.29872 numMergedOcc 0
80 mol 264 unq 2 iso 0 dist 6.24356 9.5784 9.67998 11.147 15.2551 8.56867 numMergedOcc 0
81 mol 264 unq 3 iso 0 dist 6.24356 9.5784 9.67998 10.0018 13.3874 6.29872 numMergedOcc 0
82 mol 265 unq 0 iso 0 dist 8.4218 6.34034 6.43013 7.71667 5.7944 8.03604 numMergedOcc 0
83 mol 277 unq 0 iso 0 dist 9.7748 9.41725 6.58374 7.75371 5.69112 9.62597 numMergedOcc 0
