0 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 10.6838 6.86684 5.96346 6.74026 6.54358 4.10106 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 9.68387 10.4366 6.93532 5.33179 11.0298 5.01101 5.94982 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 26.491 20.8425 15.4313 9.85784 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 25.6803 19.3627 14.1829 9.87996 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.11056 10.4744 8.86116 16.6031 14.012 9.41441 20.2398 18.188 9.88364 9.85784 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.11056 10.4744 8.86116 16.6031 14.012 9.41441 19.381 18.4146 9.78753 9.87996 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 8.78181 6.08585 8.50222 5.23233 11.037 13.2447 9.16515 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 8.78181 6.08585 8.50222 10.4709 13.0315 11.8139 9.82987 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 8.40051 13.466 7.57578 8.78181 6.08585 8.50222 15.0643 11.971 6.28979 9.40732 numMergedOcc 0
9 mol 25 unq 3 iso 0 dist 8.40051 13.466 7.57578 8.78181 6.08585 8.50222 13.591 9.48085 5.18617 6.53269 numMergedOcc 0
10 mol 25 unq 4 iso 0 dist 8.40051 14.4191 7.17969 8.78181 6.08585 7.55264 5.23233 11.037 14.9982 9.16515 numMergedOcc 0
11 mol 25 unq 5 iso 0 dist 8.40051 14.4191 7.17969 8.78181 6.08585 7.55264 10.4709 13.0315 14.1251 9.82987 numMergedOcc 0
12 mol 25 unq 6 iso 0 dist 8.40051 14.4191 7.17969 8.78181 6.08585 7.55264 15.0643 11.971 8.41421 9.40732 numMergedOcc 0
13 mol 25 unq 7 iso 0 dist 8.40051 14.4191 7.17969 8.78181 6.08585 7.55264 13.591 9.48085 5.68041 6.53269 numMergedOcc 0
14 mol 25 unq 8 iso 0 dist 8.6396 5.8503 5.04899 8.78181 5.77929 8.87757 5.23233 6.55597 4.69295 9.16515 numMergedOcc 0
15 mol 25 unq 9 iso 0 dist 8.6396 5.8503 5.04899 8.78181 5.77929 8.87757 10.4709 7.07751 8.79309 9.82987 numMergedOcc 0
16 mol 25 unq 10 iso 0 dist 8.6396 5.8503 5.04899 8.78181 5.77929 8.87757 15.0643 11.008 14.9206 9.40732 numMergedOcc 0
17 mol 25 unq 11 iso 0 dist 8.6396 5.8503 5.04899 8.78181 5.77929 8.87757 13.591 9.49421 13.6145 6.53269 numMergedOcc 0
18 mol 25 unq 12 iso 0 dist 8.88413 5.59268 7.17969 11.6272 10.8498 6.16347 10.1908 10.3338 5.63212 5.20109 numMergedOcc 0
19 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 5.84625 9.95364 8.80614 7.4999 13.813 11.3019 7.58739 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 6.36193 5.40367 6.62496 5.84625 9.95364 8.80614 4.99692 9.22598 9.87158 9.01564 numMergedOcc 0
21 mol 58 unq 2 iso 0 dist 6.36193 5.40367 6.62496 5.84625 9.95364 8.80614 3.70586 9.55996 5.86526 7.11065 numMergedOcc 0
22 mol 58 unq 3 iso 0 dist 4.88613 5.40367 6.35756 5.84625 5.49591 8.80614 7.4999 11.2189 11.3019 7.58739 numMergedOcc 0
23 mol 58 unq 4 iso 0 dist 4.88613 5.40367 6.35756 5.84625 5.49591 8.80614 4.99692 8.96727 9.87158 9.01564 numMergedOcc 0
24 mol 58 unq 5 iso 0 dist 4.88613 5.40367 6.35756 5.84625 5.49591 8.80614 3.70586 8.01308 5.86526 7.11065 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 9.54477 6.56633 9.24757 4.21749 8.68662 6.20232 8.96616 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 9.54477 6.56633 9.24757 5.65986 7.4369 5.70116 6.14542 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 9.34823 5.13589 6.73586 5.92411 8.95212 4.39676 8.67537 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 11.6466 7.29399 4.97175 15.1569 11.8464 6.16616 9.35533 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 6.72323 4.54648 6.16242 11.5628 8.77023 13.0405 8.83732 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 5.82404 4.64588 6.80239 6.72323 4.54648 5.87634 11.5628 8.77023 13.7612 8.83732 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.1527 4.57832 6.23142 3.76211 7.21868 8.06642 9.0176 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 12.1527 4.57832 9.94764 3.76211 7.21868 4.00092 9.0176 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 12.1527 5.29786 6.23142 3.76211 7.93372 8.06642 9.0176 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 9.60411 6.20443 9.71307 12.1527 5.29786 9.94764 3.76211 7.93372 4.00092 9.0176 numMergedOcc 0
35 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 11.9876 4.57832 6.23142 4.63732 7.21868 8.06642 9.0176 numMergedOcc 0
36 mol 134 unq 5 iso 0 dist 9.55556 6.36794 9.86662 11.9876 4.57832 9.94764 4.63732 7.21868 4.00092 9.0176 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 12.7332 7.20191 9.39829 9.77747 9.01624 5.71898 5.99437 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 12.7332 7.20191 9.39829 10.0615 9.55105 5.83796 8.4848 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 13.401 5.63555 5.9176 7.19461 6.64173 10.6474 8.12266 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 13.401 5.63555 5.9176 10.0615 9.55105 5.12833 9.43306 numMergedOcc 0
41 mol 181 unq 4 iso 0 dist 9.84952 12.9554 7.63312 13.401 5.63555 5.9176 15.4491 11.7785 4.61184 8.59681 numMergedOcc 0
42 mol 181 unq 5 iso 0 dist 9.84952 12.9554 7.63312 12.7332 7.20191 6.41453 9.77747 9.01624 5.93724 5.99437 numMergedOcc 0
43 mol 181 unq 6 iso 0 dist 9.84952 12.9554 7.63312 12.7332 7.20191 6.41453 10.0615 9.55105 5.12833 8.4848 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 5.89818 7.75656 7.67576 4.91709 5.56538 6.84862 8.43195 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 5.89818 7.75656 7.67576 5.96186 7.48954 9.53117 8.23406 numMergedOcc 0
46 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 9.38362 6.65022 8.66332 3.72432 7.27993 5.70473 9.37336 numMergedOcc 0
47 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 15.781 12.1512 7.79066 9.22776 11.4076 4.15084 9.60504 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 7.83422 8.80479 9.05071 6.54593 10.3021 5.42461 6.59036 numMergedOcc 0
