0 mol 7 unq 0 iso 0 dist 8.94874 8.36111 5.07985 17.4437 13.2513 9.87885 5.77391 7.21217 6.1206 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.94874 8.36111 5.07985 5.77391 7.21217 6.1206 17.4437 13.2513 9.87885 13.2247 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 8.71615 8.16985 11.9225 10.1721 15.6984 9.74228 11.6369 15.4232 7.12321 5.36766 numMergedOcc 0
3 mol 72 unq 0 iso 1 dist 8.71615 8.16985 11.9225 11.6369 15.4232 7.12321 10.1721 15.6984 9.74228 5.36766 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 8.71615 8.16985 11.9225 10.1721 15.6984 9.74228 6.12361 13.8194 6.21799 7.04035 numMergedOcc 0
5 mol 72 unq 1 iso 1 dist 8.71615 8.16985 11.9225 6.12361 13.8194 6.21799 10.1721 15.6984 9.74228 7.04035 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 8.71615 8.16985 11.9225 11.6369 15.4232 7.12321 6.12361 13.8194 6.21799 8.24309 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 8.71615 8.16985 11.9225 6.12361 13.8194 6.21799 11.6369 15.4232 7.12321 8.24309 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 8.71615 7.81344 13.3667 6.12361 13.8194 5.03251 11.4334 19.4622 9.56773 5.8486 numMergedOcc 0
9 mol 72 unq 2 iso 1 dist 8.71615 7.81344 13.3667 11.4334 19.4622 9.56773 6.12361 13.8194 5.03251 5.8486 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 9.5355 5.90339 9.23267 8.68855 7.57458 7.81207 5.50176 10.5524 6.14151 5.32922 numMergedOcc 0
11 mol 142 unq 0 iso 1 dist 9.5355 5.90339 9.23267 5.50176 10.5524 6.14151 8.68855 7.57458 7.81207 5.32922 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.40343 7.12029 8.06464 6.94867 14.3315 8.90571 5.77884 11.1735 6.61112 7.09479 numMergedOcc 0
13 mol 186 unq 0 iso 1 dist 8.40343 7.12029 8.06464 5.77884 11.1735 6.61112 6.94867 14.3315 8.90571 7.09479 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 4.55528 8.25861 5.15938 4.4545 8.09522 9.98372 5.62653 5.08312 6.0563 5.99308 numMergedOcc 0
15 mol 207 unq 0 iso 1 dist 4.55528 8.25861 5.15938 5.62653 5.08312 6.0563 4.4545 8.09522 9.98372 5.99308 numMergedOcc 0
16 mol 207 unq 1 iso 0 dist 4.55528 8.5067 7.6274 4.4545 8.09522 9.1528 5.62653 5.08312 8.1244 5.99308 numMergedOcc 0
17 mol 207 unq 1 iso 1 dist 4.55528 8.5067 7.6274 5.62653 5.08312 8.1244 4.4545 8.09522 9.1528 5.99308 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 9.92947 5.88041 15.6142 13.1803 22.9005 8.08349 10.3321 18.4044 9.78218 10.3613 numMergedOcc 0
19 mol 224 unq 0 iso 1 dist 9.92947 5.88041 15.6142 10.3321 18.4044 9.78218 13.1803 22.9005 8.08349 10.3613 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 7.46044 5.88041 3.56689 13.1803 9.75313 8.08349 10.3321 11.1179 9.78218 10.3613 numMergedOcc 0
21 mol 224 unq 1 iso 1 dist 7.46044 5.88041 3.56689 10.3321 11.1179 9.78218 13.1803 9.75313 8.08349 10.3613 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 8.68767 5.31916 7.57013 8.98459 11.9715 6.99769 9.81806 15.9877 8.79428 6.77699 numMergedOcc 0
23 mol 224 unq 2 iso 1 dist 8.68767 5.31916 7.57013 9.81806 15.9877 8.79428 8.98459 11.9715 6.99769 6.77699 numMergedOcc 0
24 mol 224 unq 3 iso 0 dist 8.68767 5.31916 7.57013 8.98459 11.9715 6.99769 5.99647 12.7282 6.8692 11.328 numMergedOcc 0
25 mol 224 unq 3 iso 1 dist 8.68767 5.31916 7.57013 5.99647 12.7282 6.8692 8.98459 11.9715 6.99769 11.328 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 8.68767 5.31916 7.57013 9.81806 15.9877 8.79428 5.99647 12.7282 6.8692 8.49799 numMergedOcc 0
27 mol 224 unq 3 iso 1 dist 8.68767 5.31916 7.57013 5.99647 12.7282 6.8692 9.81806 15.9877 8.79428 8.49799 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 7.52696 6.50932 5.39025 14.2513 10.5214 8.19317 8.38435 7.2346 5.1823 7.218 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 7.52696 6.50932 5.39025 8.38435 7.2346 5.1823 14.2513 10.5214 8.19317 7.218 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.4294 6.95658 12.6734 5.20592 10.3594 9.07743 6.80302 13.8212 7.66153 4.69778 numMergedOcc 0
31 mol 259 unq 0 iso 1 dist 7.4294 6.95658 12.6734 6.80302 13.8212 7.66153 5.20592 10.3594 9.07743 4.69778 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 8.37253 6.95658 5.77768 5.20592 12.6542 9.07743 6.80302 12.3765 7.66153 4.69778 numMergedOcc 0
33 mol 259 unq 1 iso 1 dist 8.37253 6.95658 5.77768 6.80302 12.3765 7.66153 5.20592 12.6542 9.07743 4.69778 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 9.047 6.16546 12.331 8.30978 16.7212 6.02353 5.80223 13.1827 6.86234 5.51836 numMergedOcc 0
35 mol 280 unq 0 iso 1 dist 9.047 6.16546 12.331 5.80223 13.1827 6.86234 8.30978 16.7212 6.02353 5.51836 numMergedOcc 0
36 mol 280 unq 1 iso 0 dist 9.9227 6.16546 7.42656 8.30978 11.1402 6.02353 5.80223 8.85762 6.86234 5.51836 numMergedOcc 0
37 mol 280 unq 1 iso 1 dist 9.9227 6.16546 7.42656 5.80223 8.85762 6.86234 8.30978 11.1402 6.02353 5.51836 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 8.38071 9.02411 7.00626 6.5173 12.2153 9.19921 6.535 10.8092 6.41303 5.10183 numMergedOcc 0
39 mol 284 unq 0 iso 1 dist 8.38071 9.02411 7.00626 6.535 10.8092 6.41303 6.5173 12.2153 9.19921 5.10183 numMergedOcc 0
40 mol 284 unq 1 iso 0 dist 7.80784 9.02411 6.34668 6.5173 11.8622 9.19921 6.535 8.42412 6.41303 5.10183 numMergedOcc 0
41 mol 284 unq 1 iso 1 dist 7.80784 9.02411 6.34668 6.535 8.42412 6.41303 6.5173 11.8622 9.19921 5.10183 numMergedOcc 0
