0 mol 10 unq 0 iso 0 dist 9.09758 10.1382 5.40169 6.55806 5.59965 9.61828 3.97711 9.43029 11.4402 4.99208 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.12171 7.70921 6.2004 7.1011 8.00171 7.72688 4.09817 9.85784 7.19293 5.70626 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.12171 7.70921 6.2004 7.1011 8.00171 7.72688 7.1305 9.87996 5.56258 5.62738 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.12171 7.70921 6.2004 11.6096 5.95834 4.82556 4.09817 9.85784 7.19293 11.6859 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.12171 7.70921 6.2004 11.6096 5.95834 4.82556 7.1305 9.87996 5.56258 9.80106 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.12171 7.70921 6.2004 10.8208 4.2121 6.25108 4.09817 9.85784 7.19293 11.076 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.12171 7.70921 6.2004 10.8208 4.2121 6.25108 7.1305 9.87996 5.56258 9.68535 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 8.12171 7.70921 6.2004 13.3998 6.72323 11.8207 4.09817 9.85784 7.19293 14.6305 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 8.12171 7.70921 6.2004 13.3998 6.72323 11.8207 7.1305 9.87996 5.56258 14.3224 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 8.01238 16.9951 9.5053 13.0316 6.56527 5.66783 5.43726 6.7142 13.4114 10.0347 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.2958 8.88157 9.75201 14.0749 8.95905 7.2505 10.4541 7.46095 6.48293 6.6642 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.45854 5.06651 8.29345 13.0366 9.91054 9.01596 5.75544 8.93769 8.08435 11.9597 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.41084 14.9542 9.78667 11.939 9.83945 8.69924 10.6312 7.42144 12.6553 16.2294 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.41084 14.9542 9.78667 11.939 9.83945 8.69924 9.58584 6.27658 13.5035 15.9806 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 6.41084 12.4212 8.47026 11.939 9.83945 9.33878 10.6312 7.42144 10.1588 16.2294 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 6.41084 12.4212 8.47026 11.939 9.83945 9.33878 9.58584 6.27658 11.7454 15.9806 numMergedOcc 0
16 mol 141 unq 4 iso 0 dist 6.93424 5.44816 6.73983 12.0582 6.75376 8.69924 16.16 9.27009 14.228 6.93828 numMergedOcc 0
17 mol 141 unq 5 iso 0 dist 6.93424 9.06521 8.6387 12.0582 6.75376 9.33878 16.16 9.27009 14.0232 6.93828 numMergedOcc 0
18 mol 141 unq 6 iso 0 dist 6.8891 5.44816 7.64956 12.0582 9.10042 8.69924 7.18009 6.65731 8.48213 14.0725 numMergedOcc 0
19 mol 141 unq 7 iso 0 dist 6.8891 5.44816 7.64956 13.5187 9.75059 9.41497 7.18009 6.65731 8.48213 13.1981 numMergedOcc 0
20 mol 141 unq 8 iso 0 dist 6.8891 5.44816 7.64956 10.0354 6.83404 9.53115 7.18009 6.65731 8.48213 3.98068 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 7.71806 5.5201 6.37788 12.1101 6.1886 8.43261 8.22995 4.19371 5.28603 4.002 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 7.71806 5.5201 6.37788 12.1101 6.1886 8.43261 12.3429 9.71015 10.7058 7.09553 numMergedOcc 0
23 mol 194 unq 2 iso 0 dist 7.71806 6.55595 8.7028 12.1101 6.1886 13.8424 8.22995 4.19371 11.0713 4.002 numMergedOcc 0
24 mol 194 unq 3 iso 0 dist 7.71806 6.55595 8.7028 12.1101 6.1886 13.8424 12.3429 9.71015 16.9177 7.09553 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 5.2801 9.44168 8.89892 7.49849 6.33496 4.55079 7.84178 6.85663 7.20313 8.60707 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 5.2801 9.44168 8.89892 9.92311 6.00636 7.29918 7.84178 6.85663 7.20313 9.39697 numMergedOcc 0
27 mol 256 unq 2 iso 0 dist 5.2801 9.44168 8.89892 5.91322 7.81448 8.66399 7.84178 6.85663 7.20313 4.05082 numMergedOcc 0
28 mol 256 unq 3 iso 0 dist 5.2801 9.44168 8.89892 5.49322 8.54499 6.4708 7.84178 6.85663 7.20313 6.63324 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 8.75324 10.2178 7.99521 6.49889 9.32954 5.52447 3.92288 6.75725 11.362 9.07649 numMergedOcc 0
30 mol 260 unq 1 iso 0 dist 8.75324 10.2178 7.99521 6.49889 9.32954 5.52447 14.1341 9.31888 5.38958 9.46408 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.7625 7.05559 7.85414 4.44586 8.20644 5.43373 15.23 9.26157 14.6871 16.0346 numMergedOcc 0
