0 mol 43 unq 0 iso 0 dist 9.0979 5.91829 8.03914 10.7173 9.50614 7.70908 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.0979 5.91829 8.03914 14.5812 8.34145 15.2015 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.0979 13.6933 9.04174 10.7173 9.50614 5.20386 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 9.0979 13.6933 9.04174 14.5812 8.34145 9.28401 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 8.79235 9.01319 9.31516 5.38541 5.40489 10.8961 numMergedOcc 0
5 mol 66 unq 0 iso 0 dist 7.3084 7.88141 9.00438 5.64923 9.6145 12.9761 numMergedOcc 0
6 mol 66 unq 1 iso 0 dist 7.3084 7.88141 9.00438 4.23816 8.32859 9.94694 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.82056 8.10307 7.91605 5.75925 8.46627 4.19129 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.09115 8.10307 6.43707 5.75925 9.22208 4.19129 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 6.14248 13.4778 9.3711 5.69691 9.08825 12.2676 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 6.97936 15.1961 9.3711 15.0399 9.08825 12.2676 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 5.00466 8.38148 9.3711 9.90405 9.08825 12.2676 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 6.12663 13.7544 8.89939 7.79168 7.20211 9.48735 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 8.52436 6.87788 6.2454 10.6421 8.16401 7.75121 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 9.67398 12.2864 6.98077 7.12852 7.5573 10.3696 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 7.15213 7.55204 6.98077 5.23445 7.5573 10.3696 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 8.8201 7.14195 9.35772 9.49026 8.40821 11.0863 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 7.75518 6.15002 5.08438 7.83764 6.396 4.65091 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 5.63283 6.89035 8.71347 6.31671 6.40171 12.4426 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 8.89981 11.4982 5.79617 11.2245 9.43017 7.78712 numMergedOcc 0
20 mol 217 unq 0 iso 0 dist 6.58871 5.07696 8.46235 5.27109 9.37602 9.18805 numMergedOcc 0
21 mol 217 unq 1 iso 0 dist 6.58871 5.07696 8.46235 7.51531 8.26522 6.07874 numMergedOcc 0
22 mol 217 unq 2 iso 0 dist 6.58871 10.8948 5.27487 5.27109 9.37602 13.3672 numMergedOcc 0
23 mol 217 unq 3 iso 0 dist 6.58871 10.8948 5.27487 7.51531 8.26522 8.6943 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 6.95569 4.62586 5.63226 9.73521 9.02537 5.35498 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 6.78424 6.01509 7.02131 5.1002 8.1635 6.37045 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 7.32002 6.01509 6.79765 5.1002 6.22943 6.37045 numMergedOcc 0
27 mol 292 unq 2 iso 0 dist 7.32002 6.01509 6.79765 7.99979 9.31056 11.9688 numMergedOcc 0
