0 mol 16 unq 0 iso 0 dist 8.62634 5.65481 9.04834 6.68517 6.05535 4.7319 10.0048 5.37568 7.65889 6.86055 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.62634 10.0664 8.17898 11.9541 5.72175 5.05803 10.0048 5.37568 6.42835 5.01101 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.62634 10.0664 8.17898 11.9541 5.72175 5.05803 14.9497 9.62324 6.57331 4.65873 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.66616 9.83216 8.23292 11.7842 12.4427 5.04899 11.0874 11.7739 7.52933 5.03027 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.66616 9.83216 8.23292 11.7842 12.4427 5.04899 15.0775 13.0315 6.55597 4.69295 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.66616 9.83216 8.23292 11.7842 12.4427 5.04899 16.5907 9.6847 9.71956 12.2542 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 8.66616 9.83216 8.23292 11.7842 12.4427 5.04899 14.7132 9.50063 7.07751 8.79309 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 8.66616 9.83216 8.23292 11.7842 12.4427 5.04899 12.0667 9.6251 8.23761 8.17061 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 8.66616 9.83216 8.23292 11.7842 12.4427 5.04899 17.0377 10.985 9.49421 13.6145 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 9.28075 5.63684 6.46655 12.6493 8.94845 7.17396 11.1847 9.85425 6.56212 7.31539 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 9.28075 5.63684 6.46655 13.6886 6.32263 9.21998 11.1847 9.85425 6.56212 11.1607 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 8.71324 7.70414 9.10915 9.56181 9.73304 9.67592 10.7474 6.24019 9.86334 5.16015 numMergedOcc 0
12 mol 64 unq 1 iso 0 dist 9.5663 7.70414 5.54343 9.56181 5.59762 9.67592 10.7474 5.18166 9.86334 5.16015 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 5.84349 4.16047 8.26838 7.90775 4.33346 9.03572 8.57607 8.32734 8.27883 4.99174 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 5.84349 4.16047 8.26838 7.90775 4.33346 9.03572 6.1991 4.79063 5.75428 4.46005 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 5.84349 4.16047 8.26838 7.90775 4.33346 9.03572 5.96246 4.05985 8.57395 8.28518 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 5.84349 4.16047 8.26838 7.90775 4.33346 9.03572 10.1197 12.6917 9.85409 15.917 numMergedOcc 0
17 mol 95 unq 4 iso 0 dist 5.84349 4.16047 8.26838 9.96562 7.47119 8.83255 8.57607 8.32734 8.27883 8.67311 numMergedOcc 0
18 mol 95 unq 5 iso 0 dist 5.84349 4.16047 8.26838 9.96562 7.47119 8.83255 6.1991 4.79063 5.75428 3.94293 numMergedOcc 0
19 mol 95 unq 6 iso 0 dist 5.84349 4.16047 8.26838 9.96562 7.47119 8.83255 5.96246 4.05985 8.57395 9.22202 numMergedOcc 0
20 mol 95 unq 7 iso 0 dist 5.84349 4.16047 8.26838 9.96562 7.47119 8.83255 10.1197 12.6917 9.85409 13.7484 numMergedOcc 0
21 mol 95 unq 8 iso 0 dist 5.84349 4.16047 8.26838 11.3191 15.4217 8.03644 8.57607 8.32734 8.27883 15.6249 numMergedOcc 0
22 mol 95 unq 9 iso 0 dist 5.84349 4.16047 8.26838 11.3191 15.4217 8.03644 6.1991 4.79063 5.75428 12.4896 numMergedOcc 0
23 mol 95 unq 10 iso 0 dist 5.84349 4.16047 8.26838 11.3191 15.4217 8.03644 5.96246 4.05985 8.57395 14.2178 numMergedOcc 0
24 mol 95 unq 11 iso 0 dist 5.84349 4.16047 8.26838 11.3191 15.4217 8.03644 10.1197 12.6917 9.85409 8.78079 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 7.60412 8.36322 8.46734 11.7396 6.43998 7.34473 8.59103 4.57343 6.29161 6.73011 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 7.60412 8.36322 8.46734 11.7396 6.43998 7.34473 10.3079 11.3914 7.86666 13.0886 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 9.24204 5.21119 5.67862 10.8084 9.52819 6.37586 14.4558 7.77359 9.33924 6.95573 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 9.24204 5.21119 5.67862 10.8084 9.52819 6.37586 10.9586 10.8891 7.93372 8.06642 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 9.24204 5.21119 5.67862 13.5945 12.4156 9.71307 14.4558 7.77359 9.33924 10.2026 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 9.24204 5.21119 5.67862 13.5945 12.4156 9.71307 10.9586 10.8891 7.93372 4.00092 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 8.42226 9.40374 7.45401 10.8152 6.8549 7.54065 9.00537 5.85073 6.61112 11.0961 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 7.55389 10.1816 7.7292 16.343 13.4646 7.10633 13.0203 5.99091 7.9133 10.7169 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 7.55389 10.1816 7.7292 15.9775 9.54287 8.51516 13.0203 5.99091 7.9133 5.57347 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 8.49961 17.1024 9.27989 17.8808 12.1502 6.16342 11.4346 3.28983 6.73665 10.6736 numMergedOcc 0
