0 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 10.0411 14.2009 6.38574 6.864 7.07775 4.69858 7.7312 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 6.20943 5.14627 4.44441 10.1278 6.38574 4.51865 5.80928 4.69858 7.7312 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.82528 5.14627 10.0411 10.1278 6.38574 6.864 5.80928 4.69858 7.7312 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 9.89212 12.3849 9.44125 11.2563 8.81358 5.67689 8.27463 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 5.84319 12.3849 9.44125 7.58835 8.81358 5.67689 8.27463 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 8.44881 12.1872 8.88313 7.32874 5.47421 4.55117 8.34191 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.81627 8.26899 5.98837 4.25144 7.4785 5.48837 7.32874 5.47421 4.55117 6.39747 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 7.32874 8.26899 4.55117 4.25144 6.39747 5.48837 6.81627 5.47421 5.98837 7.4785 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 6.86465 9.58673 5.92889 4.59417 9.23438 8.98478 6.35756 5.35073 7.05413 7.17488 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 6.86465 9.58673 5.92889 4.59417 9.23438 8.98478 10.3224 10.8153 6.61756 6.79356 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 6.62496 9.58673 10.2241 4.59417 9.9105 8.98478 6.86465 5.30792 5.92889 9.23438 numMergedOcc 0
11 mol 58 unq 6 iso 0 dist 6.62496 9.58673 10.2241 4.59417 9.9105 8.98478 6.35756 4.81926 7.05413 7.17488 numMergedOcc 0
12 mol 58 unq 7 iso 0 dist 6.62496 9.58673 10.2241 4.59417 9.9105 8.98478 10.3224 13.1243 6.61756 6.79356 numMergedOcc 0
13 mol 58 unq 8 iso 0 dist 6.35756 9.58673 7.05413 4.59417 7.17488 8.98478 6.86465 5.35073 5.92889 9.23438 numMergedOcc 0
14 mol 58 unq 9 iso 0 dist 6.35756 9.58673 7.05413 4.59417 7.17488 8.98478 10.3224 8.62958 6.61756 6.79356 numMergedOcc 0
15 mol 58 unq 10 iso 0 dist 9.55426 8.26899 10.3782 8.44881 9.79064 8.88313 7.32874 5.90225 4.55117 8.34191 numMergedOcc 0
16 mol 58 unq 11 iso 0 dist 9.55426 8.26899 10.3782 4.25144 10.307 5.48837 6.81627 9.7274 5.98837 7.4785 numMergedOcc 0
17 mol 58 unq 12 iso 0 dist 9.55426 8.26899 10.3782 4.25144 10.307 5.48837 7.32874 5.90225 4.55117 6.39747 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 4.73407 6.23522 7.78587 13.1662 11.8291 9.77992 9.10566 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 9.38498 8.70133 13.4082 4.73407 6.23522 7.78587 10.2282 5.75196 17.0996 9.62027 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 5.93252 5.64598 9.77992 3.85805 9.10566 7.78587 8.9232 11.8291 13.4082 6.23522 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 5.93252 5.64598 9.77992 3.85805 9.10566 7.78587 13.2207 16.8676 17.0996 9.62027 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 9.96396 8.70133 7.41074 4.73407 11.3218 7.78587 13.1662 16.5689 9.77992 9.10566 numMergedOcc 0
23 mol 73 unq 5 iso 0 dist 9.96396 8.70133 7.41074 4.73407 11.3218 7.78587 9.38498 15.7123 13.4082 6.23522 numMergedOcc 0
24 mol 73 unq 6 iso 0 dist 9.96396 8.70133 7.41074 4.73407 11.3218 7.78587 10.2282 17.9535 17.0996 9.62027 numMergedOcc 0
25 mol 73 unq 7 iso 0 dist 6.19304 4.65521 7.41074 5.17781 11.3218 7.78587 11.379 16.5689 9.77992 9.10566 numMergedOcc 0
26 mol 73 unq 8 iso 0 dist 6.19304 4.65521 7.41074 5.17781 11.3218 7.78587 10.2049 15.7123 13.4082 6.23522 numMergedOcc 0
27 mol 73 unq 9 iso 0 dist 6.19304 4.65521 7.41074 5.17781 11.3218 7.78587 13.1757 17.9535 17.0996 9.62027 numMergedOcc 0
28 mol 73 unq 10 iso 0 dist 9.75218 8.70133 15.9882 4.73407 12.8353 7.78587 13.1662 21.7714 9.77992 9.10566 numMergedOcc 0
29 mol 73 unq 11 iso 0 dist 9.75218 8.70133 15.9882 4.73407 12.8353 7.78587 9.38498 13.7412 13.4082 6.23522 numMergedOcc 0
30 mol 73 unq 12 iso 0 dist 9.75218 8.70133 15.9882 4.73407 12.8353 7.78587 10.2282 11.6919 17.0996 9.62027 numMergedOcc 0
31 mol 75 unq 0 iso 0 dist 8.56639 5.15851 11.8774 4.74027 11.7473 7.30467 7.79912 5.64643 10.0425 9.16597 numMergedOcc 0
32 mol 75 unq 1 iso 0 dist 8.59017 5.15851 10.0372 4.74027 13.2779 7.30467 7.79912 10.4899 10.0425 9.16597 numMergedOcc 0
33 mol 88 unq 0 iso 0 dist 9.36773 9.2603 6.95868 4.47193 6.65615 9.08952 8.31336 5.57085 6.97239 5.07548 numMergedOcc 0
34 mol 88 unq 1 iso 0 dist 8.31336 9.2603 6.97239 4.47193 5.07548 9.08952 9.36773 5.57085 6.95868 6.65615 numMergedOcc 0
35 mol 114 unq 0 iso 0 dist 7.35754 8.68821 5.33327 10.5728 10.7946 9.26486 10.1937 5.59517 9.2907 9.93438 numMergedOcc 0
36 mol 127 unq 0 iso 0 dist 9.30299 9.81878 4.77464 12.7606 5.39356 7.79077 14.7391 5.55757 7.11695 5.01504 numMergedOcc 0
37 mol 127 unq 1 iso 0 dist 9.30299 9.81878 4.77464 12.7606 5.39356 7.79077 14.9565 6.16471 9.79266 6.80627 numMergedOcc 0
38 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 4.05822 8.04118 5.69323 7.73169 5.50998 7.53854 8.39035 numMergedOcc 0
39 mol 142 unq 1 iso 0 dist 5.31024 9.07935 9.49653 4.7832 8.04118 5.69323 7.26382 5.50998 7.53854 8.39035 numMergedOcc 0
40 mol 142 unq 2 iso 0 dist 7.73169 7.15475 7.53854 4.05822 8.39035 5.69323 9.2313 5.50998 9.49653 8.04118 numMergedOcc 0
41 mol 142 unq 3 iso 0 dist 7.26382 9.07935 7.53854 4.7832 8.39035 5.69323 5.31024 5.50998 9.49653 8.04118 numMergedOcc 0
42 mol 142 unq 4 iso 0 dist 8.96657 7.15475 10.3477 4.05822 11.6454 5.69323 9.2313 11.1395 9.49653 8.04118 numMergedOcc 0
43 mol 142 unq 5 iso 0 dist 8.96657 7.15475 10.3477 4.05822 11.6454 5.69323 7.73169 5.92693 7.53854 8.39035 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 9.1374 6.71012 4.77278 11.618 11.8368 7.61421 9.94371 6.01247 5.88819 9.70481 numMergedOcc 0
45 mol 181 unq 1 iso 0 dist 5.98885 6.71012 9.14057 11.618 15.9184 7.61421 9.94371 12.6324 5.88819 9.70481 numMergedOcc 0
46 mol 181 unq 2 iso 0 dist 9.15386 6.71012 11.6919 11.618 17.4077 7.61421 9.94371 16.5106 5.88819 9.70481 numMergedOcc 0
47 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 11.9685 16.4908 9.77656 11.6759 10.6112 5.2908 9.23086 numMergedOcc 0
48 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 11.9685 16.4908 9.77656 12.1443 12.5038 10.5397 8.37086 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 9.7748 9.41725 6.58374 7.75371 5.69112 9.62597 12.5685 5.59609 10.7791 9.54359 numMergedOcc 0
