0 mol 16 unq 0 iso 0 dist 6.61114 6.50294 4.86568 10.212 6.62144 5.39089 16.424 10.6922 11.8757 7.47858 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.75381 5.50193 4.7319 10.3873 6.72833 6.51133 16.2524 10.4852 11.6856 6.93532 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.34277 5.55893 5.04899 6.14367 8.87757 5.77929 14.5784 15.5644 12.7009 8.50222 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.34277 5.55893 5.04899 6.14367 8.87757 5.77929 13.3609 16.1048 12.8117 7.55264 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.40763 6.7276 5.04899 8.83211 8.87757 5.77929 16.8793 15.5644 12.7009 8.50222 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.40763 6.7276 5.04899 8.83211 8.87757 5.77929 15.2732 16.1048 12.8117 7.55264 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 8.46842 13.3513 7.57578 10.4123 6.16347 9.34396 17.4161 10.9391 12.7009 7.45383 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 8.46842 13.3513 7.57578 12.1605 7.92503 6.11127 9.14728 10.6808 13.7311 8.6653 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 8.46842 14.4516 7.17969 10.4123 6.16347 10.8498 17.4161 10.9391 12.8117 7.45383 numMergedOcc 0
9 mol 25 unq 7 iso 0 dist 8.46842 14.4516 7.17969 12.1605 7.92503 5.30154 9.14728 10.6808 12.9968 8.6653 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 7.42893 5.81947 6.57035 9.31844 6.98314 5.53055 13.5748 6.69637 10.3881 7.61685 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.3982 5.29965 5.11551 10.6104 6.92026 6.77806 11.6013 6.5838 7.11972 5.88249 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.3982 5.29965 5.11551 10.6104 6.92026 6.77806 16.1348 10.5564 11.8863 6.97707 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.31743 10.2414 9.89303 6.89623 5.83771 7.41674 8.5778 5.79898 6.54501 7.80532 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.5778 10.2414 6.54501 6.89623 7.80532 7.41674 8.31743 5.79898 9.89303 5.83771 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.5778 13.5276 6.49416 6.89623 7.80532 9.87376 8.31743 5.79898 9.93925 5.83771 numMergedOcc 0
16 mol 170 unq 0 iso 0 dist 7.47249 6.8201 9.76807 5.34021 6.35982 4.34698 12.5738 6.52462 12.8696 9.10511 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 6.49544 8.73217 11.7429 11.305 14.5862 16.3985 7.76163 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 9.14351 12.1004 7.57994 5.56847 5.48118 10.7772 11.2562 5.3927 12.8752 7.25858 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 9.14351 9.40115 6.18582 5.56847 5.48118 7.04666 11.2562 5.3927 11.2388 7.25858 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 5.62207 7.21311 5.63675 13.8137 12.321 10.5548 9.63959 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 9.80417 10.759 6.60405 5.62207 7.21311 5.63675 8.26503 10.7374 14.3043 9.96262 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.89728 5.07898 7.46176 13.5186 7.08526 8.81835 11.1914 6.96053 7.88519 7.98231 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 8.62414 12.2316 8.44326 10.5063 8.00673 4.97614 6.23184 8.29447 10.6095 6.62841 numMergedOcc 0
