0 mol 34 unq 0 iso 0 dist 7.36836 5.89139 5.68794 6.44363 4.24673 8.18971 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 8.5213 4.6006 8.34115 9.12636 6.36692 7.89895 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 8.5213 4.6006 8.34115 11.0117 4.44938 9.54996 numMergedOcc 0
3 mol 68 unq 2 iso 0 dist 8.5213 4.6006 8.34115 11.6157 10.6386 7.71942 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 9.53663 8.00722 8.57764 6.22059 4.52409 9.03754 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.83822 8.23429 9.13689 8.565 3.3085 6.14769 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 8.83822 8.23429 9.13689 13.2238 8.27043 8.02616 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 6.12278 3.82471 8.76245 12.1431 17.5486 9.2828 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 7.78577 11.8115 6.27378 12.9198 6.05322 9.25597 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 8.51811 14.7871 9.40138 14.5476 10.3887 5.61752 numMergedOcc 0
10 mol 232 unq 0 iso 0 dist 9.4726 11.8349 5.86945 13.5312 4.62296 4.79504 numMergedOcc 0
11 mol 232 unq 1 iso 0 dist 8.32831 4.44276 5.86945 5.40264 4.62296 4.79504 numMergedOcc 0
12 mol 232 unq 2 iso 0 dist 7.91213 4.31175 5.86945 7.91491 4.62296 4.79504 numMergedOcc 0
13 mol 232 unq 3 iso 0 dist 9.33969 9.07946 5.86945 11.8784 4.62296 4.79504 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 8.53092 4.95839 4.44509 12.646 5.98994 7.87797 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.60767 7.45428 6.90511 11.2909 5.72883 4.70178 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 9.46576 9.87568 4.76164 14.9089 5.99357 7.8339 numMergedOcc 0
17 mol 268 unq 0 iso 0 dist 8.6577 6.35006 5.49906 12.1972 3.80726 8.38444 numMergedOcc 0
18 mol 268 unq 1 iso 0 dist 8.6577 6.35006 5.49906 6.9226 6.58875 7.30388 numMergedOcc 0
19 mol 268 unq 2 iso 0 dist 6.18877 10.5447 9.06348 11.7055 6.6936 8.67339 numMergedOcc 0
20 mol 286 unq 0 iso 0 dist 8.87916 6.87474 6.89373 8.77242 3.54121 8.74892 numMergedOcc 0
