0 mol 6 unq 0 iso 0 dist 9.38351 16.6659 8.15992 18.2263 9.39473 4.76488 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.05728 11.3291 7.99434 15.2404 8.93697 7.16443 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.01516 12.5904 6.65972 20.1295 13.7118 9.11491 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.01516 7.80434 4.2253 9.07582 5.79235 5.82384 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 8.01516 7.80434 4.2253 13.4761 8.29654 7.15907 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 7.40577 5.40104 7.4113 9.63389 5.27861 8.61909 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 7.40577 5.40104 7.4113 9.78437 12.5418 5.96977 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.09918 5.78374 7.75833 12.5712 4.43386 9.24546 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.28415 15.6885 9.57243 11.1454 6.55605 6.40751 numMergedOcc 0
9 mol 165 unq 0 iso 0 dist 9.8446 14.9166 5.93144 18.629 9.75493 9.74517 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.7013 3.47137 8.06007 9.00025 14.9849 7.6077 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 4.45738 6.18322 6.46946 13.9578 11.695 9.58537 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 8.40718 16.6893 8.77524 14.0483 5.64245 4.51124 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 7.47852 11.337 7.78392 14.0856 6.64449 8.9632 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 6.22332 7.99586 7.78392 11.7229 6.64449 8.9632 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 8.55211 9.04755 6.90472 13.0799 8.32254 8.8385 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 8.89292 6.39025 5.38739 11.8571 4.90822 9.06774 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 5.76796 7.01472 4.95596 8.96754 8.9423 6.01404 numMergedOcc 0
18 mol 286 unq 0 iso 0 dist 8.97304 6.60143 8.08382 15.4008 10.4495 9.81574 numMergedOcc 0
