0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 5.11636 7.95042 10.9819 6.07553 5.86882 3.96228 8.21811 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 5.11636 7.95042 10.9819 6.48457 9.9259 12.2071 5.13078 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.36323 5.54419 12.3067 6.28159 8.87744 10.4135 10.7243 10.576 14.8593 4.90881 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.36323 5.54419 12.3067 6.28159 8.87744 10.4135 13.0477 8.94148 18.4287 9.39956 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 8.80127 11.7026 7.6222 8.70016 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 10.7243 10.576 14.8593 6.15382 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 10.6494 6.39013 15.3687 6.63216 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 5.70116 9.73086 7.4369 13.1245 8.00278 10.4159 8.95637 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 5.70116 9.73086 12.8207 13.1245 8.00278 18.9129 8.95637 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 5.70116 7.4369 9.73086 13.1245 10.4159 8.00278 8.95637 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 13.1245 10.4159 18.9129 8.95637 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 4.3481 7.06939 12.4681 12.5352 11.3241 18.0656 8.806 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.03644 7.27724 8.41707 15.6249 8.27883 15.6447 14.6852 9.82384 13.4259 7.64172 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.03644 9.03572 16.6055 11.3215 9.3948 19.7448 16.0612 14.2706 23.5725 9.44847 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 8.03644 9.03572 16.6055 11.3215 9.3948 19.7448 14.145 11.0946 22.5079 6.05839 numMergedOcc 0
15 mol 95 unq 3 iso 0 dist 8.03644 8.83255 13.8105 11.3215 9.3948 19.9408 16.0612 14.2706 24.0844 9.44847 numMergedOcc 0
16 mol 95 unq 4 iso 0 dist 8.03644 8.83255 13.8105 11.3215 9.3948 19.9408 14.145 11.0946 22.3838 6.05839 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 8.00618 7.11802 8.18495 15.0115 8.77023 12.5855 10.6275 5.58281 10.7358 5.47256 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.41373 9.33094 8.69531 13.0397 11.0384 12.3235 6.71328 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 10.8635 9.33094 8.69531 14.911 11.0384 12.3235 6.71328 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 12.3479 9.33094 11.2896 14.2176 11.0384 10.2552 6.71328 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 9.86662 8.94367 6.81259 12.8086 9.1998 11.0808 13.0397 12.3235 11.0384 5.35285 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 7.41373 8.69531 9.33094 13.0397 12.3235 11.0384 6.71328 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 15.0225 9.1998 11.0808 14.911 12.3235 11.0384 5.35285 numMergedOcc 0
24 mol 134 unq 6 iso 0 dist 9.71307 6.37586 6.81259 10.8635 8.69531 9.33094 14.911 12.3235 11.0384 6.71328 numMergedOcc 0
25 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 4.67662 7.81207 6.14151 10.1107 6.05056 6.24222 7.80044 numMergedOcc 0
26 mol 142 unq 1 iso 0 dist 5.31024 9.2313 5.32922 4.67662 6.14151 7.81207 10.1107 6.24222 6.05056 7.80044 numMergedOcc 0
27 mol 142 unq 2 iso 0 dist 7.73169 7.26382 5.32922 5.81599 7.81207 6.14151 11.3512 6.05056 6.24222 7.80044 numMergedOcc 0
28 mol 142 unq 3 iso 0 dist 7.26382 7.73169 5.32922 5.81599 6.14151 7.81207 11.3512 6.24222 6.05056 7.80044 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 11.0961 6.61112 18.4751 9.83935 4.527 13.3944 7.54492 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 7.54065 8.87694 5.74635 11.0961 6.61112 11.456 9.83935 4.527 9.6018 7.54492 numMergedOcc 0
31 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 6.35474 5.64942 6.97962 10.1596 6.22871 4.35125 8.70333 numMergedOcc 0
32 mol 192 unq 1 iso 0 dist 7.00794 5.59424 5.76246 6.35474 6.97962 5.64942 10.1596 4.35125 6.22871 8.70333 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 5.0317 5.23634 10.7855 9.68793 6.16261 10.2987 8.60053 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 5.0317 5.23634 6.91318 9.68793 6.16261 11.3848 8.60053 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 5.0317 5.23634 11.2661 9.68793 6.16261 14.5919 8.60053 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 5.0317 5.23634 12.3663 9.68793 6.16261 14.3995 8.60053 numMergedOcc 0
37 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 5.0317 6.91318 10.7855 9.68793 11.3848 10.2987 8.60053 numMergedOcc 0
38 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 5.0317 6.91318 5.23634 9.68793 11.3848 6.16261 8.60053 numMergedOcc 0
39 mol 227 unq 6 iso 0 dist 8.65997 7.56888 9.70012 5.0317 6.91318 11.2661 9.68793 11.3848 14.5919 8.60053 numMergedOcc 0
40 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 5.0317 6.91318 12.3663 9.68793 11.3848 14.3995 8.60053 numMergedOcc 0
41 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 7.40852 7.15764 13.1298 6.38733 3.6688 12.9824 9.03266 numMergedOcc 0
42 mol 252 unq 1 iso 0 dist 7.19638 9.2288 11.7918 7.40852 7.15764 10.5687 6.38733 3.6688 9.78504 9.03266 numMergedOcc 0
