0 mol 7 unq 0 iso 0 dist 6.0323 7.15434 5.70161 11.2706 12.2471 7.10621 8.75346 11.2505 9.67164 13.156 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.72142 6.28033 5.59769 5.40044 8.47315 4.7319 6.64634 12.2105 7.65889 6.86055 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.72533 6.39243 4.96555 15.2831 13.7283 9.51761 4.95319 8.43157 5.65084 12.6536 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 6.72533 6.39243 4.96555 9.30561 11.0264 7.3094 4.95319 8.43157 5.65084 9.36767 numMergedOcc 0
4 mol 18 unq 2 iso 0 dist 8.29216 9.1715 4.96555 17.8306 13.7283 9.51761 6.19959 8.43157 5.65084 12.6536 numMergedOcc 0
5 mol 18 unq 3 iso 0 dist 8.29216 9.1715 4.96555 14.3582 11.0264 7.3094 6.19959 8.43157 5.65084 9.36767 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 4.9903 10.872 6.6263 5.41726 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 11.6369 15.4232 9.96708 11.1406 14.376 9.55118 5.69391 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 8.71615 6.7212 5.46166 11.6369 15.4232 9.96708 8.28664 10.4964 9.10345 13.4212 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 8.71615 6.7212 5.46166 6.12361 13.8194 9.78528 11.1406 14.376 9.55118 9.78221 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 8.71615 6.7212 5.46166 6.12361 13.8194 9.78528 8.28664 10.4964 9.10345 11.6634 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 15.7072 9.71578 8.68662 6.20232 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 15.2252 10.1662 7.4369 5.70116 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 15.7072 12.3622 8.68662 6.20232 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 15.2252 11.4233 7.4369 5.70116 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 15.7072 14.4361 8.68662 6.20232 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 15.2252 14.3455 7.4369 5.70116 numMergedOcc 0
17 mol 73 unq 6 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 6.52486 11.9031 5.5087 11.2069 numMergedOcc 0
18 mol 73 unq 7 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 10.9731 14.3253 6.08682 10.6713 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 9.2046 7.51061 10.6667 5.29855 13.1633 7.34473 6.98893 14.0731 6.29161 6.73011 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 9.2046 7.51061 10.6667 5.29855 13.1633 7.34473 11.231 13.4191 7.86666 13.0886 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 8.30003 7.0318 10.4589 8.12649 12.1493 9.84395 7.5937 13.8641 6.10127 6.57678 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 7.5937 13.8641 6.10127 10.5783 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 12.3624 11.439 8.40312 9.88758 9.5782 9.27976 3.98662 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 5.114 11.2315 9.1374 11.9701 13.418 9.76212 12.9532 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 8.03259 8.90247 6.94401 14.0828 14.2663 8.03334 11.9701 13.418 9.76212 6.50233 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 4.21935 6.83046 5.29737 4.77446 6.37342 6.16342 8.15025 7.69491 6.73665 10.6736 numMergedOcc 0
