0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 10.6104 8.41585 11.659 14.9934 14.7759 19.4743 9.68596 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 8.78181 6.08585 5.77929 8.50222 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 8.78181 6.08585 5.77929 7.55264 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 8.78181 5.77929 6.08585 8.87757 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.88413 9.87281 10.8648 5.59268 7.17969 12.4135 11.6272 10.8498 17.14 6.16347 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.88413 9.87281 10.8648 5.59268 7.17969 12.4135 7.05148 5.30154 5.64303 7.92503 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.88413 7.63928 10.2779 5.59268 7.17969 11.6743 11.6272 10.8498 17.3842 6.16347 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 8.88413 7.63928 10.2779 5.59268 7.17969 11.6743 7.05148 5.30154 5.82503 7.92503 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 9.87281 8.88413 10.8648 6.17631 7.31767 12.9968 7.05148 5.64303 5.30154 8.6653 numMergedOcc 0
9 mol 25 unq 8 iso 0 dist 9.87281 7.63928 4.51512 6.17631 7.31767 6.03987 7.05148 5.64303 5.82503 8.6653 numMergedOcc 0
10 mol 25 unq 9 iso 0 dist 7.63928 8.88413 10.2779 6.17631 6.03987 12.9968 7.05148 5.82503 5.30154 8.6653 numMergedOcc 0
11 mol 25 unq 10 iso 0 dist 7.63928 9.87281 4.51512 6.17631 6.03987 7.31767 7.05148 5.82503 5.64303 8.6653 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 5.40367 6.62496 6.35756 5.84625 9.95364 5.49591 8.80614 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 4.88613 6.36193 4.81926 5.40367 6.35756 6.62496 5.84625 5.49591 9.95364 8.80614 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.65047 8.69069 15.3836 5.69671 8.03644 11.659 9.49995 11.4333 6.71199 9.49454 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 6.18763 8.82535 4.72062 5.3154 6.18601 9.80193 9.34823 5.13589 6.09547 6.73586 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 6.18763 8.44385 10.9871 5.3154 6.18601 10.1813 9.34823 5.13589 10.8661 6.73586 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 6.18763 5.63005 9.93257 5.3154 6.18601 9.72413 9.34823 5.13589 12.0175 6.73586 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 5.82404 9.50322 8.18495 10.2385 6.29155 13.268 6.72323 4.54648 12.538 6.16242 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 5.82404 9.50322 8.18495 4.64588 6.80239 12.6651 6.72323 4.54648 12.538 5.87634 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 10.5108 8.94367 6.37586 12.1527 4.57832 5.29786 6.23142 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.92932 9.60411 5.49782 6.20443 9.86662 9.71307 12.1527 4.57832 5.29786 9.94764 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 9.60411 9.92932 5.49782 10.5108 6.37586 8.94367 12.1527 5.29786 4.57832 6.23142 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 9.60411 9.92932 5.49782 6.20443 9.71307 9.86662 12.1527 5.29786 4.57832 9.94764 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 9.55556 9.60369 5.62899 11.9294 8.94367 11.7385 11.9876 4.57832 7.1797 6.23142 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 9.55556 9.60369 5.62899 6.36794 9.86662 11.3835 11.9876 4.57832 7.1797 9.94764 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 5.4913 8.10287 9.33648 6.8901 7.45763 13.4269 8.86587 5.8535 14.0496 4.8668 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 8.6537 8.75374 5.1556 8.65216 8.22528 11.3979 9.38362 6.65022 5.42069 8.66332 numMergedOcc 0
28 mol 229 unq 1 iso 0 dist 8.6537 7.10634 10.6558 8.65216 8.22528 13.7165 9.38362 6.65022 8.92166 8.66332 numMergedOcc 0
29 mol 229 unq 2 iso 0 dist 8.6537 5.57702 7.0298 8.65216 8.22528 11.7165 9.38362 6.65022 10.2411 8.66332 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 9.29752 7.70279 6.56633 9.60401 8.27212 10.5803 7.83422 8.80479 12.3508 9.05071 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.30668 9.64124 5.4956 8.04474 8.2734 11.448 13.7647 10.8848 15.9043 7.07965 numMergedOcc 0
