0 mol 7 unq 0 iso 0 dist 8.94874 8.36111 5.07985 17.4437 13.2513 9.87885 17.0751 16.2933 12.8323 8.41585 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.94874 8.36111 5.07985 5.77391 7.21217 6.1206 11.9671 6.09254 7.12508 7.10621 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.94874 5.99898 6.83196 5.77391 7.21217 7.67927 11.9671 6.09254 11.143 7.10621 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 8.71615 8.16985 11.9225 11.6369 15.4232 7.12321 12.3223 14.8672 4.27726 8.8178 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 8.71615 8.16985 11.9225 11.6369 15.4232 7.12321 6.7212 5.46166 7.47371 9.96708 numMergedOcc 0
5 mol 72 unq 2 iso 0 dist 8.71615 8.16985 11.9225 6.12361 13.8194 6.21799 6.7212 5.46166 7.47371 9.78528 numMergedOcc 0
6 mol 72 unq 3 iso 0 dist 8.71615 7.81344 13.3667 6.12361 13.8194 5.03251 6.7212 5.46166 9.67587 9.78528 numMergedOcc 0
7 mol 72 unq 4 iso 0 dist 8.71615 5.49421 8.89293 6.12361 13.8194 7.66093 6.7212 5.46166 7.07356 9.78528 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 5.24519 8.54233 6.66127 5.34484 7.70533 6.10127 8.81172 6.29427 6.57678 9.84395 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 5.24519 8.54233 6.66127 5.34484 7.70533 6.10127 11.6152 14.3476 10.5783 7.90328 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 9.5355 5.90339 9.23267 8.68855 7.57458 7.81207 7.15087 13.1936 4.67662 9.2313 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 9.5355 5.90339 9.23267 8.68855 7.57458 7.81207 10.5719 12.288 5.81599 7.73169 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 9.5355 5.90339 9.23267 8.68855 7.57458 7.81207 15.3413 14.2067 11.1 8.96657 numMergedOcc 0
13 mol 142 unq 3 iso 0 dist 9.5355 5.90339 9.23267 5.50176 10.5524 6.14151 7.15087 13.1936 4.67662 5.31024 numMergedOcc 0
14 mol 142 unq 4 iso 0 dist 9.5355 5.90339 9.23267 5.50176 10.5524 6.14151 10.5719 12.288 5.81599 7.26382 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.40343 7.12029 8.06464 5.77884 11.1735 6.61112 12.2764 13.9339 11.0961 7.54065 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 5.69733 6.91906 4.112 5.68711 8.49704 7.46481 13.6328 12.4611 11.4955 9.65138 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 5.69733 6.91906 4.112 5.68711 8.49704 7.46481 11.6154 11.832 8.459 7.14453 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 5.69733 6.91906 4.112 5.68711 8.49704 7.46481 11.5105 10.644 11.1534 8.85478 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.92947 5.88041 15.6142 13.1803 22.9005 8.08349 10.6043 19.7343 5.13732 6.61986 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 7.46044 5.88041 3.56689 13.1803 9.75313 8.08349 10.6043 6.46679 5.13732 6.61986 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 8.68767 5.31916 7.57013 8.98459 11.9715 6.99769 10.1632 12.6092 5.76843 6.65832 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 8.68767 5.31916 7.57013 9.81806 15.9877 8.79428 9.73411 14.3302 7.05804 6.57273 numMergedOcc 0
23 mol 224 unq 4 iso 0 dist 8.68767 5.31916 7.57013 9.81806 15.9877 8.79428 10.1632 12.6092 5.76843 6.60589 numMergedOcc 0
24 mol 224 unq 5 iso 0 dist 8.68767 5.31916 7.57013 5.99647 12.7282 6.8692 9.73411 14.3302 7.05804 5.78342 numMergedOcc 0
25 mol 224 unq 6 iso 0 dist 8.68767 5.31916 7.57013 5.99647 12.7282 6.8692 10.1632 12.6092 5.76843 9.16166 numMergedOcc 0
26 mol 224 unq 7 iso 0 dist 8.68767 5.31916 7.57013 5.99647 12.7282 6.8692 7.75485 9.74911 4.54188 5.81334 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 7.4294 6.95658 12.6734 5.20592 10.3594 9.07743 5.75874 6.9607 6.73882 8.53687 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 7.4294 6.95658 12.6734 5.20592 10.3594 9.07743 10.9903 15.8193 8.8603 8.13497 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 7.4294 6.95658 12.6734 6.80302 13.8212 7.66153 10.9903 15.8193 8.8603 7.88519 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 7.4294 6.95658 12.6734 6.80302 13.8212 7.66153 10.8535 16.667 5.8801 7.84554 numMergedOcc 0
31 mol 259 unq 4 iso 0 dist 7.4294 6.95658 12.6734 6.80302 13.8212 7.66153 13.7903 20.2321 11.8896 7.46176 numMergedOcc 0
32 mol 259 unq 5 iso 0 dist 7.4294 6.95658 12.6734 6.80302 13.8212 7.66153 11.7532 18.3049 5.81576 9.18903 numMergedOcc 0
33 mol 259 unq 6 iso 0 dist 8.37253 6.95658 5.77768 5.20592 12.6542 9.07743 5.75874 6.68041 6.73882 8.53687 numMergedOcc 0
34 mol 259 unq 7 iso 0 dist 8.37253 6.95658 5.77768 5.20592 12.6542 9.07743 10.9903 14.0237 8.8603 8.13497 numMergedOcc 0
35 mol 259 unq 8 iso 0 dist 8.37253 6.95658 5.77768 6.80302 12.3765 7.66153 10.9903 14.0237 8.8603 7.88519 numMergedOcc 0
36 mol 259 unq 9 iso 0 dist 8.37253 6.95658 5.77768 6.80302 12.3765 7.66153 10.8535 11.3897 5.8801 7.84554 numMergedOcc 0
37 mol 259 unq 10 iso 0 dist 8.37253 6.95658 5.77768 6.80302 12.3765 7.66153 13.7903 17.6216 11.8896 7.46176 numMergedOcc 0
38 mol 259 unq 11 iso 0 dist 8.37253 6.95658 5.77768 6.80302 12.3765 7.66153 11.7532 10.1367 5.81576 9.18903 numMergedOcc 0
39 mol 273 unq 0 iso 0 dist 9.36052 8.28809 6.08276 6.69098 12.8035 9.59325 13.6003 14.1076 12.2939 9.01049 numMergedOcc 0
40 mol 276 unq 0 iso 0 dist 7.35537 7.70127 5.58312 9.58401 9.05218 8.6759 12.5562 5.72513 9.39944 9.8993 numMergedOcc 0
41 mol 276 unq 1 iso 0 dist 7.35537 7.70127 5.58312 9.58401 9.05218 8.6759 13.4249 8.86096 8.26321 6.87396 numMergedOcc 0
42 mol 280 unq 0 iso 0 dist 9.047 6.16546 12.331 8.30978 16.7212 6.02353 8.80588 14.1091 4.90315 6.53701 numMergedOcc 0
43 mol 280 unq 1 iso 0 dist 9.047 6.16546 12.331 5.80223 13.1827 6.86234 8.80588 14.1091 4.90315 6.0664 numMergedOcc 0
44 mol 280 unq 2 iso 0 dist 9.9227 6.16546 7.42656 8.30978 11.1402 6.02353 8.80588 4.95798 4.90315 6.53701 numMergedOcc 0
45 mol 280 unq 3 iso 0 dist 9.9227 6.16546 7.42656 5.80223 8.85762 6.86234 8.80588 4.95798 4.90315 6.0664 numMergedOcc 0
