0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 10.6104 8.41585 11.659 4.7739 5.99459 10.1349 6.88805 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.91301 7.46102 8.4069 8.25051 9.62879 8.96553 13.8883 9.01112 12.536 7.12261 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.91301 9.47227 5.27819 8.25051 9.62879 12.1933 13.8883 9.01112 13.4286 7.12261 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 6.29702 4.79873 12.3944 10.2864 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 13.591 9.48085 9.49421 5.18617 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 6.29702 4.79873 12.3944 11.4148 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 13.591 9.48085 9.49421 5.68041 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 10.0172 7.52933 16.4232 5.03027 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 5.23233 6.55597 11.037 4.69295 numMergedOcc 0
9 mol 25 unq 6 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 13.5673 9.71956 14.581 12.2542 numMergedOcc 0
10 mol 25 unq 7 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 10.4709 7.07751 13.0315 8.79309 numMergedOcc 0
11 mol 25 unq 8 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 12.2787 8.23761 17.2964 8.17061 numMergedOcc 0
12 mol 25 unq 9 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 13.591 9.49421 9.48085 13.6145 numMergedOcc 0
13 mol 25 unq 10 iso 0 dist 7.63928 8.88413 10.2779 6.17631 6.03987 12.9968 4.88495 7.99919 13.3069 4.77954 numMergedOcc 0
14 mol 25 unq 11 iso 0 dist 7.63928 9.87281 4.51512 6.17631 6.03987 7.31767 4.88495 7.99919 11.0249 4.77954 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 5.40367 6.62496 6.35756 4.99692 9.22598 8.96727 9.87158 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 4.88613 6.36193 4.81926 5.40367 6.35756 6.62496 4.99692 8.96727 9.22598 9.87158 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 4.88613 6.36193 4.81926 5.40367 6.35756 6.62496 3.70586 8.01308 9.55996 5.86526 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 7.74197 7.86537 5.57085 4.0486 9.36773 8.31336 11.151 7.80898 12.785 12.1193 numMergedOcc 0
19 mol 88 unq 1 iso 0 dist 7.74197 6.35462 9.94966 4.0486 9.36773 10.3436 11.151 7.80898 13.6401 12.1193 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.65047 8.69069 15.3836 5.33325 7.27724 12.5309 8.55456 9.3948 16.1071 3.94537 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 9.65047 8.69069 15.3836 5.33325 7.27724 12.5309 3.84879 9.74607 12.242 6.12605 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 9.65047 8.69069 15.3836 5.69671 8.03644 11.659 8.55456 9.3948 16.1071 11.3215 numMergedOcc 0
23 mol 95 unq 3 iso 0 dist 9.65047 8.69069 15.3836 5.69671 8.03644 11.659 3.84879 9.74607 12.242 5.06946 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 6.18763 8.82535 4.72062 5.3154 6.18601 9.80193 5.92411 8.95212 11.0072 4.39676 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 6.18763 8.44385 10.9871 5.3154 6.18601 10.1813 5.92411 8.95212 6.99446 4.39676 numMergedOcc 0
26 mol 119 unq 2 iso 0 dist 6.18763 5.63005 9.93257 5.3154 6.18601 9.72413 5.92411 8.95212 7.64052 4.39676 numMergedOcc 0
27 mol 119 unq 3 iso 0 dist 8.44385 8.82535 10.0278 12.1192 9.87172 15.3394 5.92411 6.99446 11.0072 6.20019 numMergedOcc 0
28 mol 119 unq 4 iso 0 dist 8.44385 6.18763 10.9871 12.1192 9.87172 13.9919 5.92411 6.99446 8.95212 6.20019 numMergedOcc 0
29 mol 119 unq 5 iso 0 dist 8.44385 5.63005 4.85907 12.1192 9.87172 12.6489 5.92411 6.99446 7.64052 6.20019 numMergedOcc 0
30 mol 119 unq 6 iso 0 dist 5.63005 8.82535 9.93385 10.5268 8.73993 17.937 5.92411 7.64052 11.0072 9.68677 numMergedOcc 0
31 mol 119 unq 7 iso 0 dist 5.63005 6.18763 9.93257 10.5268 8.73993 16.4353 5.92411 7.64052 8.95212 9.68677 numMergedOcc 0
32 mol 119 unq 8 iso 0 dist 5.63005 8.44385 4.85907 10.5268 8.73993 10.3704 5.92411 7.64052 6.99446 9.68677 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 9.28278 8.78082 10.5871 14.5776 8.54584 17.1395 9.05571 5.51197 12.8996 12.1739 numMergedOcc 0
34 mol 129 unq 1 iso 0 dist 9.28278 8.78082 10.5871 14.5776 8.54584 17.1395 9.63308 6.69691 15.3611 8.26896 numMergedOcc 0
35 mol 129 unq 2 iso 0 dist 9.28278 8.78082 10.5871 14.5776 8.54584 17.1395 14.5546 8.86944 18.9289 5.63254 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 5.82404 9.50322 8.18495 10.2385 6.29155 13.268 11.5628 8.77023 12.5855 13.0405 numMergedOcc 0
37 mol 133 unq 1 iso 0 dist 5.82404 9.50322 8.18495 4.64588 6.80239 12.6651 11.5628 8.77023 12.5855 13.7612 numMergedOcc 0
38 mol 133 unq 2 iso 0 dist 5.82404 9.50322 8.18495 5.37072 8.00618 7.11802 11.5628 8.77023 12.5855 15.0115 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 10.5108 8.94367 6.37586 3.76211 7.21868 7.93372 8.06642 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 9.92932 9.60411 5.49782 6.20443 9.86662 9.71307 3.76211 7.21868 7.93372 4.00092 numMergedOcc 0
41 mol 134 unq 2 iso 0 dist 9.60411 9.92932 5.49782 10.5108 6.37586 8.94367 11.6349 9.33924 13.9752 6.95573 numMergedOcc 0
42 mol 134 unq 3 iso 0 dist 9.60411 9.92932 5.49782 10.5108 6.37586 8.94367 3.76211 7.93372 7.21868 8.06642 numMergedOcc 0
43 mol 134 unq 4 iso 0 dist 9.60411 9.92932 5.49782 6.20443 9.71307 9.86662 11.6349 9.33924 13.9752 10.2026 numMergedOcc 0
44 mol 134 unq 5 iso 0 dist 9.60411 9.92932 5.49782 6.20443 9.71307 9.86662 3.76211 7.93372 7.21868 4.00092 numMergedOcc 0
45 mol 134 unq 6 iso 0 dist 9.55556 9.60369 5.62899 11.9294 8.94367 11.7385 4.63732 7.21868 9.66543 8.06642 numMergedOcc 0
46 mol 134 unq 7 iso 0 dist 9.55556 9.60369 5.62899 6.36794 9.86662 11.3835 4.63732 7.21868 9.66543 4.00092 numMergedOcc 0
47 mol 229 unq 0 iso 0 dist 8.6537 8.75374 5.1556 8.65216 8.22528 11.3979 3.72432 7.27993 9.51168 5.70473 numMergedOcc 0
48 mol 229 unq 1 iso 0 dist 8.6537 8.75374 5.1556 10.7439 7.03423 11.9282 3.72432 7.27993 9.51168 7.22525 numMergedOcc 0
49 mol 229 unq 2 iso 0 dist 8.6537 7.10634 10.6558 8.65216 8.22528 13.7165 3.72432 7.27993 10.218 5.70473 numMergedOcc 0
50 mol 229 unq 3 iso 0 dist 8.6537 7.10634 10.6558 10.7439 7.03423 15.8786 3.72432 7.27993 10.218 7.22525 numMergedOcc 0
51 mol 229 unq 4 iso 0 dist 8.6537 5.57702 7.0298 8.65216 8.22528 11.7165 3.72432 7.27993 6.95201 5.70473 numMergedOcc 0
52 mol 229 unq 5 iso 0 dist 8.6537 5.57702 7.0298 10.7439 7.03423 11.4362 3.72432 7.27993 6.95201 7.22525 numMergedOcc 0
53 mol 229 unq 6 iso 0 dist 5.57702 8.6537 7.0298 6.21233 9.87838 11.6115 3.72432 6.95201 7.27993 4.61227 numMergedOcc 0
54 mol 229 unq 7 iso 0 dist 5.57702 8.75374 6.54885 6.21233 9.87838 13.9028 3.72432 6.95201 9.51168 4.61227 numMergedOcc 0
55 mol 229 unq 8 iso 0 dist 5.57702 7.10634 7.08329 6.21233 9.87838 13.2937 3.72432 6.95201 10.218 4.61227 numMergedOcc 0
