0 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 7.27322 5.89134 4.41134 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 16.3024 7.47201 9.49511 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 9.03097 6.79185 11.1338 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 9.03097 6.79185 5.54797 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 7.12423 13.6102 9.0709 4.00441 7.52921 11.0025 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.7978 6.8958 7.17396 4.9408 8.49118 5.64744 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.55751 5.85228 7.17396 5.9805 8.49118 5.64744 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 12.2635 9.79143 7.9151 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 9.52397 7.16975 7.09323 numMergedOcc 0
9 mol 75 unq 1 iso 0 dist 6.95595 10.309 8.56639 9.52397 7.16975 7.92499 numMergedOcc 0
10 mol 75 unq 2 iso 0 dist 6.95595 5.80162 8.59017 9.52397 7.16975 6.68962 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 8.88225 8.73453 9.5497 12.2577 6.81209 7.71512 numMergedOcc 0
12 mol 86 unq 1 iso 0 dist 9.49308 10.7693 9.5497 14.195 6.81209 7.71512 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 12.3773 6.066 6.81076 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 4.95463 6.066 6.81076 numMergedOcc 0
15 mol 88 unq 2 iso 0 dist 7.86537 4.0486 8.31336 4.95463 9.36032 6.81076 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 5.4578 9.70093 10.6133 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 5.63005 10.5268 8.73993 5.4578 6.69217 11.3981 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 6.00706 9.64695 6.56917 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 5.82404 10.2385 6.29155 6.00706 4.51266 5.47259 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 5.82404 4.64588 6.80239 6.00706 4.51266 4.70102 numMergedOcc 0
21 mol 133 unq 3 iso 0 dist 5.82404 5.37072 8.00618 6.00706 4.51266 6.56917 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 10.7508 8.47008 7.45927 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 10.7508 8.47008 5.83639 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 5.47125 6.52987 4.92241 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 5.47125 6.52987 7.36565 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 5.96555 5.87892 7.80463 5.47125 6.52987 10.9417 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 6.41423 5.52084 9.81596 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 7.42904 9.96254 7.7366 5.08185 5.52084 9.81596 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 9.59974 9.08674 7.86189 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 11.1368 6.35438 8.83842 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 11.1368 6.35438 5.43327 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 7.46434 13.0285 8.41436 13.704 7.27632 10.6728 numMergedOcc 0
33 mol 234 unq 3 iso 0 dist 7.46434 13.9912 8.92474 13.704 7.27632 5.3919 numMergedOcc 0
34 mol 234 unq 4 iso 0 dist 7.50424 6.88707 8.41436 7.31442 7.27632 10.6728 numMergedOcc 0
35 mol 234 unq 5 iso 0 dist 7.50424 8.96936 8.92474 7.31442 7.27632 5.3919 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 5.07144 6.8597 9.26426 numMergedOcc 0
37 mol 256 unq 0 iso 0 dist 7.67598 8.99993 8.29103 11.6106 9.72168 12.0476 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 5.73834 6.48867 6.60405 5.71858 8.14531 4.88549 numMergedOcc 0
39 mol 258 unq 1 iso 0 dist 5.73834 7.52881 6.42289 5.71858 8.14531 10.8069 numMergedOcc 0
