0 mol 18 unq 0 iso 0 dist 9.12848 4.84965 8.2056 9.2978 7.37821 6.41856 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 9.12848 4.84965 8.2056 7.37356 4.25207 8.51213 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.07029 7.62792 6.42206 12.8678 5.3315 7.34549 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.07029 15.6943 9.66602 12.8678 5.3315 9.72289 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 8.19347 10.1065 9.49676 19.578 16.3301 9.70612 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 8.19347 10.1065 9.49676 15.4207 11.1811 6.46781 numMergedOcc 0
6 mol 38 unq 2 iso 0 dist 8.19347 10.1065 9.49676 12.4336 5.79134 8.19077 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 7.7961 7.4373 8.60396 16.2186 14.9742 8.99509 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 7.7961 7.4373 8.60396 15.4814 12.7554 8.47617 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 7.7961 7.4373 8.60396 11.6685 9.56289 5.73331 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 7.7961 7.4373 8.60396 10.9685 6.44102 8.48694 numMergedOcc 0
11 mol 43 unq 4 iso 0 dist 7.7961 5.81652 7.48969 6.35333 5.16403 6.6657 numMergedOcc 0
12 mol 55 unq 0 iso 0 dist 5.24284 7.71738 7.03751 9.94255 5.39888 7.74108 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 9.00045 4.93105 6.27186 10.6426 4.4651 9.45835 numMergedOcc 0
14 mol 91 unq 0 iso 0 dist 9.60916 11.8632 7.62621 13.2479 10.2967 8.00525 numMergedOcc 0
15 mol 91 unq 1 iso 0 dist 9.44798 14.205 7.62621 10.65 10.2967 8.00525 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 4.45006 7.1496 8.84466 14.0321 12.5871 9.10877 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 7.92498 6.31058 8.28452 12.6882 14.0364 8.29529 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.65299 9.99175 6.12404 12.1209 5.24961 5.22628 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 6.46871 10.9673 7.76856 16.2239 10.6484 9.09857 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.99187 10.3947 5.76223 16.4954 9.68222 8.44108 numMergedOcc 0
