0 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 6.74026 6.54358 4.10106 10.6838 6.86684 5.96346 6.859 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 13.591 9.48085 5.18617 8.78181 6.08585 8.50222 6.53269 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 13.591 9.48085 5.18617 10.9235 9.15781 12.4659 9.81524 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.40051 14.4191 7.17969 13.591 9.48085 5.68041 8.78181 6.08585 7.55264 6.53269 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.40051 14.4191 7.17969 13.591 9.48085 5.68041 10.9235 9.15781 10.3593 9.81524 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.6396 5.8503 5.04899 5.23233 6.55597 4.69295 8.78181 5.77929 8.87757 9.16515 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 10.4709 7.07751 8.79309 8.78181 5.77929 8.87757 9.82987 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 8.78181 5.77929 8.87757 6.53269 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 10.9235 6.68639 9.61019 9.81524 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 4.99692 9.22598 9.87158 5.84625 9.95364 8.80614 9.01564 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 4.99692 8.96727 9.87158 5.84625 5.49591 8.80614 9.01564 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 3.70586 8.01308 5.86526 5.84625 5.49591 8.80614 7.11065 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 4.21749 8.68662 6.20232 9.54477 6.56633 9.24757 8.96616 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 5.65986 7.4369 5.70116 9.54477 6.56633 9.24757 6.14542 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 5.92411 8.95212 4.39676 9.34823 5.13589 6.73586 8.67537 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 8.44385 12.1192 9.87172 5.92411 6.99446 6.20019 9.34823 10.8661 11.5311 8.67537 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 5.63005 10.5268 8.73993 5.92411 7.64052 9.68677 9.34823 12.0175 17.8739 8.67537 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 9.05571 5.51197 12.1739 12.7577 4.92472 12.0256 6.34626 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 11.5628 8.77023 13.0405 6.72323 4.54648 6.16242 8.83732 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 5.82404 4.64588 6.80239 11.5628 8.77023 13.7612 6.72323 4.54648 5.87634 8.83732 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 5.82404 5.37072 8.00618 11.5628 8.77023 15.0115 6.72323 4.54648 10.9061 8.83732 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 3.76211 7.21868 8.06642 12.1527 4.57832 6.23142 9.0176 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 3.76211 7.21868 4.00092 12.1527 4.57832 9.94764 9.0176 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 3.76211 7.93372 8.06642 12.1527 5.29786 6.23142 9.0176 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 9.60411 6.20443 9.71307 3.76211 7.93372 4.00092 12.1527 5.29786 9.94764 9.0176 numMergedOcc 0
25 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 4.63732 7.21868 8.06642 11.9876 4.57832 6.23142 9.0176 numMergedOcc 0
26 mol 134 unq 5 iso 0 dist 9.55556 6.36794 9.86662 4.63732 7.21868 4.00092 11.9876 4.57832 9.94764 9.0176 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 7.19461 6.64173 6.8757 13.401 5.63555 10.4943 8.12266 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 9.77747 9.01624 5.71898 12.7332 7.20191 9.39829 5.99437 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 9.84952 4.3158 7.81386 10.0615 9.55105 5.83796 13.401 5.63555 10.4943 9.43306 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 9.84952 4.3158 7.81386 10.0615 9.55105 5.83796 12.7332 7.20191 9.39829 8.4848 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 9.84952 12.9554 7.63312 7.19461 6.64173 10.6474 13.401 5.63555 5.9176 8.12266 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 12.7332 7.20191 6.41453 5.99437 numMergedOcc 0
33 mol 181 unq 6 iso 0 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 13.401 5.63555 5.9176 9.43306 numMergedOcc 0
34 mol 181 unq 7 iso 0 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 12.7332 7.20191 6.41453 8.4848 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 5.89818 7.75656 7.67576 8.43195 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 5.89818 7.75656 7.67576 8.23406 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 3.72432 7.27993 5.70473 9.38362 6.65022 8.66332 9.37336 numMergedOcc 0
38 mol 229 unq 1 iso 0 dist 8.6537 10.7439 7.03423 3.72432 7.27993 7.22525 9.38362 6.65022 11.1976 9.37336 numMergedOcc 0
39 mol 229 unq 2 iso 0 dist 5.57702 6.21233 9.87838 3.72432 6.95201 4.61227 9.38362 10.2411 13.8021 9.37336 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 9.8663 7.81215 12.4252 14.6064 10.0059 17.6227 7.77911 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 9.8663 7.81215 5.75498 14.6064 10.0059 12.6238 7.77911 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 16.1262 7.70529 16.795 9.26157 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 8.88312 7.20674 7.8414 16.222 8.83082 14.0973 8.62162 numMergedOcc 0
44 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 10.0594 7.20674 7.8414 12.578 8.83082 14.0973 8.62162 numMergedOcc 0
