0 mol 30 unq 0 iso 0 dist 6.30807 12.4266 9.84967 4.38332 8.51496 10.8606 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.6783 4.69936 6.51139 7.85477 5.31016 7.22315 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 8.6783 7.02255 6.91278 7.85477 5.31016 4.65104 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.60396 11.3388 9.76585 10.6703 9.38335 14.1531 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.48969 14.9002 9.76585 4.14061 9.38335 14.1531 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 7.17678 8.98413 7.30652 6.26461 8.91502 4.94886 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.03774 7.57026 5.83682 4.20676 8.58172 7.0449 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 7.03774 7.57026 5.83682 6.9174 8.94585 4.14354 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 5.7232 6.14253 9.73038 8.11294 6.72323 12.9623 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.0302 9.99567 8.52591 6.13227 8.01453 7.22151 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.65051 6.02176 8.52591 5.50161 8.01453 7.22151 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 9.41519 5.44444 8.52591 9.59112 8.01453 7.22151 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 6.28769 5.30543 5.47265 8.52762 9.41073 5.30729 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.94464 8.18671 6.60648 6.15536 9.07527 12.2278 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 7.00974 11.3038 9.06357 7.72205 5.79898 14.3408 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.6856 5.60485 8.17026 6.60614 9.58735 8.59303 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 8.6856 4.22701 8.43002 6.60614 9.58735 10.3959 numMergedOcc 0
17 mol 268 unq 0 iso 0 dist 9.7384 10.2436 6.62669 8.90545 8.6745 9.35776 numMergedOcc 0
18 mol 268 unq 1 iso 0 dist 9.7384 4.84665 9.73984 8.90545 8.6745 6.95055 numMergedOcc 0
