0 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 5.30734 6.38243 14.3325 14.8894 9.56136 6.79475 13.9894 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 6.24711 5.32981 7.08559 14.0576 9.58596 16.1649 13.6509 12.7516 8.38156 20.7415 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 6.24711 5.32981 7.08559 14.0576 9.58596 16.1649 7.18022 3.39994 7.79336 11.6541 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.10496 8.70415 6.61111 7.32662 8.75597 13.6622 9.81956 6.70343 4.44979 12.2279 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.10496 8.70415 6.61111 12.3881 9.18457 6.34014 9.81956 6.70343 4.44979 9.14707 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 9.64383 12.0058 4.44979 8.76845 6.83746 5.92812 14.0897 6.70343 6.61111 11.6715 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 9.64383 12.0058 4.44979 11.7715 9.14707 6.34014 14.0897 6.70343 6.61111 9.18457 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 5.92242 9.74284 6.61111 13.4985 8.75597 13.6622 10.8223 6.70343 4.44979 12.2279 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 5.92242 9.74284 6.61111 7.89505 9.18457 6.34014 10.8223 6.70343 4.44979 9.14707 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 7.54889 10.0962 4.44979 13.9572 6.83746 5.92812 5.2571 6.70343 6.61111 11.6715 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 7.54889 10.0962 4.44979 13.1975 9.14707 6.34014 5.2571 6.70343 6.61111 9.18457 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 5.2571 10.0962 6.61111 6.934 8.75597 13.6622 7.54889 6.70343 4.44979 12.2279 numMergedOcc 0
12 mol 98 unq 9 iso 0 dist 5.2571 10.0962 6.61111 13.1975 9.18457 6.34014 7.54889 6.70343 4.44979 9.14707 numMergedOcc 0
13 mol 98 unq 10 iso 0 dist 7.78931 11.2452 4.44979 14.5341 6.83746 5.92812 8.7497 6.70343 6.61111 11.6715 numMergedOcc 0
14 mol 98 unq 11 iso 0 dist 7.78931 11.2452 4.44979 15.9953 9.14707 6.34014 8.7497 6.70343 6.61111 9.18457 numMergedOcc 0
15 mol 98 unq 12 iso 0 dist 8.7497 11.2452 6.61111 7.17433 8.75597 13.6622 7.78931 6.70343 4.44979 12.2279 numMergedOcc 0
16 mol 98 unq 13 iso 0 dist 8.7497 11.2452 6.61111 15.9953 9.18457 6.34014 7.78931 6.70343 4.44979 9.14707 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 9.05166 6.35364 8.91262 12.6695 7.44041 9.06991 5.56994 5.11 6.12922 10.2176 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.95212 16.7975 9.08536 13.52 9.57341 8.96522 20.5378 12.7135 6.55202 9.6121 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 6.99446 7.36192 9.08536 4.99056 9.57341 8.96522 11.2897 12.7135 6.55202 9.6121 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 7.64052 10.6679 9.08536 3.78311 9.57341 8.96522 12.31 12.7135 6.55202 9.6121 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 6.42772 5.31077 6.44575 11.7434 6.99345 8.05714 9.70973 5.83782 7.43401 5.11043 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 9.33094 5.3585 7.43401 9.4027 5.11043 8.05714 11.0808 5.83782 6.44575 6.99345 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 9.1998 6.74887 6.44575 5.12325 6.99345 8.05714 8.69531 5.83782 7.43401 5.11043 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 8.69531 6.74887 7.43401 5.12325 5.11043 8.05714 9.1998 5.83782 6.44575 6.99345 numMergedOcc 0
25 mol 134 unq 4 iso 0 dist 5.35237 8.96357 6.57379 6.02179 8.48313 13.6926 9.69086 4.87973 5.73203 12.1815 numMergedOcc 0
26 mol 134 unq 5 iso 0 dist 8.70621 10.9715 6.44575 6.02179 6.99345 8.05714 10.3432 5.83782 7.43401 5.11043 numMergedOcc 0
27 mol 134 unq 6 iso 0 dist 7.99477 5.9915 6.57379 10.9332 8.48313 13.6926 9.00918 4.87973 5.73203 12.1815 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 5.40637 5.44503 7.46803 10.8441 8.68663 7.12863 7.36975 10.1474 8.18023 13.5717 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 17.0241 9.57955 16.9887 14.181 9.9109 9.57455 13.484 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 8.1945 10.7506 8.91356 16.6392 9.87668 8.99405 14.181 9.9109 9.57455 10.5222 numMergedOcc 0
31 mol 225 unq 2 iso 0 dist 6.50998 8.69249 8.91356 10.6484 9.57955 16.9887 11.7112 9.9109 9.57455 13.484 numMergedOcc 0
32 mol 225 unq 3 iso 0 dist 6.50998 8.69249 8.91356 4.76151 9.87668 8.99405 11.7112 9.9109 9.57455 10.5222 numMergedOcc 0
33 mol 267 unq 0 iso 0 dist 8.8293 7.11419 5.08174 6.74922 7.60505 9.7551 9.33497 11.3792 6.32877 14.3917 numMergedOcc 0
34 mol 267 unq 1 iso 0 dist 8.8293 7.11419 5.08174 6.74922 7.60505 9.7551 14.4164 13.5886 9.48115 17.8644 numMergedOcc 0
35 mol 267 unq 2 iso 0 dist 8.8293 7.11419 5.08174 6.74922 7.60505 9.7551 15.0638 7.9327 8.38545 15.5248 numMergedOcc 0
36 mol 267 unq 3 iso 0 dist 8.8293 7.11419 5.08174 6.74922 7.60505 9.7551 11.5802 3.51278 6.10838 10.4106 numMergedOcc 0
37 mol 267 unq 4 iso 0 dist 7.34981 6.45566 5.08174 9.163 7.60505 9.7551 10.3168 11.3792 6.32877 14.3917 numMergedOcc 0
38 mol 267 unq 5 iso 0 dist 7.34981 6.45566 5.08174 9.163 7.60505 9.7551 15.2499 13.5886 9.48115 17.8644 numMergedOcc 0
39 mol 267 unq 6 iso 0 dist 7.34981 6.45566 5.08174 9.163 7.60505 9.7551 11.8835 7.9327 8.38545 15.5248 numMergedOcc 0
40 mol 267 unq 7 iso 0 dist 7.34981 6.45566 5.08174 9.163 7.60505 9.7551 10.316 3.51278 6.10838 10.4106 numMergedOcc 0
41 mol 292 unq 0 iso 0 dist 9.46442 12.1551 5.84792 9.84292 9.2558 6.67435 14.4052 4.99426 6.1905 11.9946 numMergedOcc 0
42 mol 292 unq 1 iso 0 dist 9.46442 12.1551 5.84792 9.84292 9.2558 6.67435 7.30758 3.57128 8.73515 9.84946 numMergedOcc 0
43 mol 292 unq 2 iso 0 dist 9.9182 18.0293 8.73515 16.2289 9.84946 6.67435 17.5894 8.21724 6.1905 11.9946 numMergedOcc 0
44 mol 292 unq 3 iso 0 dist 9.9182 18.0293 8.73515 16.2289 9.84946 6.67435 13.4489 3.57128 5.84792 9.2558 numMergedOcc 0
45 mol 292 unq 4 iso 0 dist 7.30758 12.1551 8.73515 9.84292 9.84946 6.67435 14.4052 8.21724 6.1905 11.9946 numMergedOcc 0
46 mol 292 unq 5 iso 0 dist 7.30758 12.1551 8.73515 9.84292 9.84946 6.67435 9.46442 3.57128 5.84792 9.2558 numMergedOcc 0
47 mol 292 unq 6 iso 0 dist 9.10788 10.8709 8.73515 8.96137 9.84946 6.67435 12.0935 8.21724 6.1905 11.9946 numMergedOcc 0
48 mol 292 unq 7 iso 0 dist 9.10788 10.8709 8.73515 8.96137 9.84946 6.67435 9.96037 3.57128 5.84792 9.2558 numMergedOcc 0
