0 mol 11 unq 0 iso 0 dist 5.96346 8.05213 8.73067 6.84216 6.76736 4.79838 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.30695 7.27724 7.56871 8.01262 6.03873 5.67087 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 6.35398 7.85924 9.09091 6.58046 6.51674 5.25331 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.40416 6.74265 7.02548 11.6815 6.08459 7.40236 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.75618 5.5841 7.02548 11.0464 6.08459 7.40236 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 6.41575 5.14627 5.82366 10.1278 5.31883 6.38574 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.41423 4.69858 5.82366 7.7312 5.31883 6.38574 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 9.01548 4.70708 6.63839 11.26 4.68797 9.75219 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 19.3557 10.7828 8.55712 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.24757 7.41074 7.10439 11.3218 7.98468 7.78587 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.82915 15.8792 6.05495 13.3547 5.22259 5.61151 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.82915 15.8792 6.05495 15.6221 7.66499 6.54289 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 5.37007 9.97281 7.1539 10.5604 9.04084 7.03417 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 6.95572 9.32974 6.72712 9.68271 3.87825 5.32369 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 6.95572 6.99832 5.39745 9.68271 3.87825 7.03417 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.84011 8.88748 5.79343 9.93438 5.99273 7.93956 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 9.72053 6.01663 6.90634 10.1588 3.90693 7.92317 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 7.7949 12.8559 6.90634 11.308 3.90693 7.92317 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.10291 10.5489 4.25566 10.8338 3.80087 6.50336 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 9.87644 4.29204 8.00449 9.3273 5.16197 9.68074 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 9.00416 8.31653 6.05323 13.7491 5.64188 8.22067 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.2479 4.77278 7.13252 11.8368 13.4378 7.61421 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 6.22122 5.88819 7.13252 9.70481 13.4378 7.61421 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 7.99195 9.14057 7.13252 15.9184 13.4378 7.61421 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 5.94469 6.7991 7.05653 8.29467 3.63671 6.91878 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 7.32499 5.9221 7.43663 9.7221 6.67757 5.69634 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 7.32499 13.2297 7.94068 9.7221 6.67757 6.81195 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.55668 4.65302 7.95766 8.08965 6.82702 9.11149 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 6.95126 6.43692 7.95766 12.2745 6.82702 9.11149 numMergedOcc 0
29 mol 237 unq 0 iso 0 dist 7.41478 6.56344 5.98039 9.7255 4.50383 8.33629 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 7.57812 5.11565 8.90076 11.8376 13.8952 8.71877 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 9.24557 11.0401 8.90076 9.76893 13.8952 8.71877 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 8.69104 5.11565 6.62002 11.8376 12.856 8.71877 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 7.98231 11.6195 8.71497 12.9913 9.75001 9.28024 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 7.08526 5.79468 8.71497 11.9533 9.75001 9.28024 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 5.93616 9.67998 7.34094 15.2551 13.0664 8.56867 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 5.93616 9.67998 7.34094 13.3874 10.4666 6.29872 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 6.71375 4.65134 5.40318 9.78483 6.31696 5.94614 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 8.91712 4.62998 5.59555 9.18744 3.96271 7.77225 numMergedOcc 0
39 mol 287 unq 1 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 numMergedOcc 0
40 mol 287 unq 2 iso 0 dist 9.65934 7.23534 5.59555 13.0643 3.96271 7.77225 numMergedOcc 0
41 mol 287 unq 3 iso 0 dist 9.65934 7.23534 5.59555 5.30118 5.39801 5.50067 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 8.91712 4.62998 5.59555 9.18744 3.96271 7.77225 numMergedOcc 0
43 mol 288 unq 1 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 numMergedOcc 0
44 mol 288 unq 2 iso 0 dist 9.65934 7.23534 5.59555 13.0643 3.96271 7.77225 numMergedOcc 0
45 mol 288 unq 3 iso 0 dist 9.65934 7.23534 5.59555 5.30118 5.39801 5.50067 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 8.91712 4.62998 5.59555 9.18744 3.96271 7.77225 numMergedOcc 0
47 mol 289 unq 1 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 numMergedOcc 0
48 mol 289 unq 2 iso 0 dist 9.65934 7.23534 5.59555 13.0643 3.96271 7.77225 numMergedOcc 0
49 mol 289 unq 3 iso 0 dist 9.65934 7.23534 5.59555 5.30118 5.39801 5.50067 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 9.88863 5.98906 5.7131 9.82511 4.30125 3.93401 numMergedOcc 0
