0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 15.1647 8.41585 10.6104 5.26458 5.99972 4.60206 12.0193 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 7.4835 5.95165 5.51815 4.61088 3.77561 10.4181 5.96346 4.46394 6.86684 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.40392 10.9024 9.54519 8.23069 5.54419 13.2653 8.92687 8.4051 12.1061 5.11617 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.40392 10.9024 9.54519 8.23069 5.54419 13.2653 13.278 8.23446 6.53276 13.1779 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 7.40392 10.9024 9.54519 8.23069 5.54419 13.2653 5.12527 8.75662 6.81998 10.8238 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 7.40392 10.9024 9.54519 8.59466 7.36323 5.80023 8.92687 8.4051 12.1061 13.2229 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 7.40392 10.9024 9.54519 8.59466 7.36323 5.80023 13.278 8.23446 6.53276 6.38336 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 7.40392 10.9024 9.54519 8.59466 7.36323 5.80023 5.12527 8.75662 6.81998 6.7828 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.94828 4.93826 8.40051 14.2406 7.57578 13.466 6.84017 6.16347 4.32173 9.34396 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 8.94828 4.93826 8.40051 14.2406 7.57578 13.466 15.5398 7.92503 15.9662 6.11127 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 8.94828 4.93826 8.40051 15.6642 7.17969 14.4191 6.84017 6.16347 4.32173 10.8498 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 8.94828 4.93826 8.40051 15.6642 7.17969 14.4191 15.5398 7.92503 15.9662 5.30154 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 5.5249 8.80331 11.0096 5.33298 8.95682 7.13085 6.18002 numMergedOcc 0
13 mol 43 unq 1 iso 0 dist 8.06275 6.41579 8.38387 10.4413 6.20293 11.8286 5.33298 8.95682 7.13085 8.38399 numMergedOcc 0
14 mol 43 unq 2 iso 0 dist 8.90024 14.9559 8.38387 13.9129 8.80331 11.0096 13.2914 8.95682 7.13085 6.18002 numMergedOcc 0
15 mol 43 unq 3 iso 0 dist 8.90024 14.9559 8.38387 5.84171 6.20293 11.8286 13.2914 8.95682 7.13085 8.38399 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 9.81637 9.37897 6.36193 11.9429 6.62496 5.40367 6.18332 5.93884 4.37642 5.78774 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 12.3158 5.08437 4.75138 15.5475 6.65501 7.43001 4.4057 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 9.83528 13.0144 5.9747 15.1765 6.48948 10.4417 15.5475 6.65501 7.43001 7.42446 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 9.83528 13.0144 5.9747 8.06684 6.10456 11.3628 15.5475 6.65501 7.43001 9.67482 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 9.83528 10.11 4.50572 12.3158 5.08437 6.88489 15.5475 6.65501 9.5305 4.4057 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 9.83528 10.11 4.50572 15.1765 6.48948 9.63267 15.5475 6.65501 9.5305 7.42446 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 9.83528 10.11 4.50572 8.06684 6.10456 9.82583 15.5475 6.65501 9.5305 9.67482 numMergedOcc 0
23 mol 98 unq 6 iso 0 dist 7.54969 12.9828 5.9747 11.7493 5.08437 4.75138 13.2316 6.65501 7.43001 4.4057 numMergedOcc 0
24 mol 98 unq 7 iso 0 dist 7.54969 12.9828 5.9747 10.3366 6.48948 10.4417 13.2316 6.65501 7.43001 7.42446 numMergedOcc 0
25 mol 98 unq 8 iso 0 dist 7.54969 12.9828 5.9747 5.15322 6.10456 11.3628 13.2316 6.65501 7.43001 9.67482 numMergedOcc 0
26 mol 98 unq 9 iso 0 dist 7.54969 9.82501 4.50572 11.7493 5.08437 6.88489 13.2316 6.65501 9.5305 4.4057 numMergedOcc 0
27 mol 98 unq 10 iso 0 dist 7.54969 9.82501 4.50572 10.3366 6.48948 9.63267 13.2316 6.65501 9.5305 7.42446 numMergedOcc 0
28 mol 98 unq 11 iso 0 dist 7.54969 9.82501 4.50572 5.15322 6.10456 9.82583 13.2316 6.65501 9.5305 9.67482 numMergedOcc 0
29 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 5.68669 8.69985 11.5656 5.26309 7.80523 4.81814 7.74599 numMergedOcc 0
30 mol 109 unq 1 iso 0 dist 6.43255 13.5611 8.3164 6.80429 8.69985 11.5656 11.4333 7.80523 4.81814 7.74599 numMergedOcc 0
31 mol 109 unq 2 iso 0 dist 7.4389 13.6781 8.3164 12.3794 8.69985 11.5656 14.0908 7.80523 4.81814 7.74599 numMergedOcc 0
32 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 9.75696 8.37808 11.0216 6.9595 9.23819 4.81033 7.39059 numMergedOcc 0
33 mol 122 unq 1 iso 0 dist 8.47907 5.08302 9.40018 9.75696 8.37808 11.0216 10.577 8.88537 9.33734 5.0355 numMergedOcc 0
34 mol 122 unq 2 iso 0 dist 8.47907 11.2519 6.78949 9.75696 8.37808 7.54208 6.9595 9.23819 6.93382 7.39059 numMergedOcc 0
35 mol 122 unq 3 iso 0 dist 8.47907 11.2519 6.78949 9.75696 8.37808 7.54208 10.577 8.88537 4.21285 5.0355 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 9.94179 11.088 9.3894 6.75154 6.5107 4.84607 4.77149 6.66772 11.5759 7.12976 numMergedOcc 0
37 mol 133 unq 1 iso 0 dist 9.94179 11.088 9.3894 6.70853 9.52634 13.0836 4.77149 6.66772 11.5759 4.34568 numMergedOcc 0
38 mol 133 unq 2 iso 0 dist 8.66715 13.3005 9.50322 14.0905 7.11802 5.37072 5.05981 9.22232 16.7326 16.0138 numMergedOcc 0
39 mol 133 unq 3 iso 0 dist 8.66715 13.3005 9.50322 14.0905 7.11802 5.37072 17.5205 9.22661 10.2948 5.92062 numMergedOcc 0
40 mol 133 unq 4 iso 0 dist 8.66715 13.3005 9.50322 14.0905 7.11802 5.37072 15.4908 7.56378 11.6924 6.61891 numMergedOcc 0
41 mol 133 unq 5 iso 0 dist 8.95433 15.4773 9.50322 11.0811 7.11802 5.37072 13.7968 9.22232 16.7326 16.0138 numMergedOcc 0
42 mol 133 unq 6 iso 0 dist 8.95433 15.4773 9.50322 11.0811 7.11802 5.37072 12.0166 9.22661 10.2948 5.92062 numMergedOcc 0
43 mol 133 unq 7 iso 0 dist 8.95433 15.4773 9.50322 11.0811 7.11802 5.37072 5.14992 7.56378 11.6924 6.61891 numMergedOcc 0
44 mol 235 unq 0 iso 0 dist 7.8128 12.3178 9.11256 5.49043 5.4638 6.84447 12.5723 9.55668 3.93066 7.60081 numMergedOcc 0
45 mol 235 unq 1 iso 0 dist 7.8128 4.27313 7.08539 5.49043 5.4638 7.38431 12.5723 9.55668 13.0408 7.60081 numMergedOcc 0
46 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 11.4665 6.16342 7.97883 15.4125 8.84636 8.28901 4.30299 numMergedOcc 0
47 mol 241 unq 0 iso 0 dist 8.23536 9.23513 9.10633 5.50714 7.4631 7.20238 4.45211 7.89524 4.85571 4.45049 numMergedOcc 0
48 mol 241 unq 1 iso 0 dist 6.90245 3.92006 9.10633 5.3674 7.4631 7.20238 5.69979 7.89524 4.85571 4.45049 numMergedOcc 0
49 mol 264 unq 0 iso 0 dist 7.37999 9.36659 8.43858 4.72487 9.361 10.2215 10.9458 7.16853 4.29482 11.1431 numMergedOcc 0
50 mol 264 unq 1 iso 0 dist 7.37999 9.36659 8.43858 11.0659 6.24356 8.55312 10.9458 7.16853 4.29482 5.00209 numMergedOcc 0
51 mol 264 unq 2 iso 0 dist 7.36703 6.52963 8.43858 5.28781 9.361 10.2215 6.24807 7.16853 4.29482 11.1431 numMergedOcc 0
52 mol 264 unq 3 iso 0 dist 7.36703 6.52963 8.43858 5.91731 6.24356 8.55312 6.24807 7.16853 4.29482 5.00209 numMergedOcc 0
