0 mol 17 unq 0 iso 0 dist 9.19031 4.36561 9.26171 7.46777 8.70761 3.47257 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 9.19031 7.46777 8.70761 4.36561 9.26171 3.47257 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.4228 16.7341 9.74724 14.3516 9.13347 3.39356 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 9.4228 14.3516 9.13347 16.7341 9.74724 3.39356 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.80127 6.7846 7.18124 8.03955 6.47026 6.0925 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 8.80127 8.03955 6.47026 6.7846 7.18124 6.0925 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.48457 13.2846 7.18124 12.3897 6.47026 6.0925 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 6.48457 12.3897 6.47026 13.2846 7.18124 6.0925 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 9.27081 9.75637 8.28218 6.56837 8.10811 12.0223 numMergedOcc 0
9 mol 30 unq 0 iso 1 dist 9.27081 6.56837 8.10811 9.75637 8.28218 12.0223 numMergedOcc 0
10 mol 81 unq 0 iso 0 dist 6.4687 5.62545 7.15043 8.0518 5.70283 5.45312 numMergedOcc 0
11 mol 81 unq 0 iso 1 dist 6.4687 8.0518 5.70283 5.62545 7.15043 5.45312 numMergedOcc 0
12 mol 81 unq 1 iso 0 dist 6.67147 5.62545 5.86142 8.0518 7.16741 5.45312 numMergedOcc 0
13 mol 81 unq 1 iso 1 dist 6.67147 8.0518 7.16741 5.62545 5.86142 5.45312 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 8.77199 13.3089 9.43843 10.3737 7.67463 16.5258 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 8.77199 10.3737 7.67463 13.3089 9.43843 16.5258 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 8.81824 16.2205 9.43843 8.37717 7.67463 16.5258 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 8.81824 8.37717 7.67463 16.2205 9.43843 16.5258 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 5.82487 11.6076 8.46167 7.84907 6.13175 5.7147 numMergedOcc 0
19 mol 113 unq 0 iso 1 dist 5.82487 7.84907 6.13175 11.6076 8.46167 5.7147 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 5.82487 11.6076 8.46167 4.11536 4.34107 8.09465 numMergedOcc 0
21 mol 113 unq 1 iso 1 dist 5.82487 4.11536 4.34107 11.6076 8.46167 8.09465 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 5.82487 7.84907 6.13175 4.11536 4.34107 3.74304 numMergedOcc 0
23 mol 113 unq 1 iso 1 dist 5.82487 4.11536 4.34107 7.84907 6.13175 3.74304 numMergedOcc 0
24 mol 120 unq 0 iso 0 dist 8.1671 3.824 9.43682 4.96885 8.0564 8.68088 numMergedOcc 0
25 mol 120 unq 0 iso 1 dist 8.1671 4.96885 8.0564 3.824 9.43682 8.68088 numMergedOcc 0
26 mol 176 unq 0 iso 0 dist 6.32146 5.02061 5.60333 6.40668 5.58647 3.17744 numMergedOcc 0
27 mol 176 unq 0 iso 1 dist 6.32146 6.40668 5.58647 5.02061 5.60333 3.17744 numMergedOcc 0
28 mol 176 unq 1 iso 0 dist 6.32146 5.02061 5.60333 10.3398 8.5733 5.47761 numMergedOcc 0
29 mol 176 unq 1 iso 1 dist 6.32146 10.3398 8.5733 5.02061 5.60333 5.47761 numMergedOcc 0
30 mol 176 unq 1 iso 0 dist 6.32146 6.40668 5.58647 10.3398 8.5733 4.75543 numMergedOcc 0
31 mol 176 unq 1 iso 1 dist 6.32146 10.3398 8.5733 6.40668 5.58647 4.75543 numMergedOcc 0
32 mol 178 unq 0 iso 0 dist 8.4173 4.69387 6.53017 13.6551 8.83695 9.42585 numMergedOcc 0
33 mol 178 unq 0 iso 1 dist 8.4173 13.6551 8.83695 4.69387 6.53017 9.42585 numMergedOcc 0
34 mol 178 unq 1 iso 0 dist 6.55543 7.39705 6.53017 4.02132 8.83695 9.42585 numMergedOcc 0
35 mol 178 unq 1 iso 1 dist 6.55543 4.02132 8.83695 7.39705 6.53017 9.42585 numMergedOcc 0
36 mol 230 unq 0 iso 0 dist 9.0813 13.9138 8.46558 14.6682 9.96417 10.3113 numMergedOcc 0
37 mol 230 unq 0 iso 1 dist 9.0813 14.6682 9.96417 13.9138 8.46558 10.3113 numMergedOcc 0
38 mol 230 unq 1 iso 0 dist 9.0813 13.9138 8.46558 15.1309 9.28671 13.2396 numMergedOcc 0
39 mol 230 unq 1 iso 1 dist 9.0813 15.1309 9.28671 13.9138 8.46558 13.2396 numMergedOcc 0
40 mol 230 unq 1 iso 0 dist 9.0813 14.6682 9.96417 15.1309 9.28671 5.64621 numMergedOcc 0
41 mol 230 unq 1 iso 1 dist 9.0813 15.1309 9.28671 14.6682 9.96417 5.64621 numMergedOcc 0
42 mol 230 unq 2 iso 0 dist 5.94606 11.0218 8.46558 5.80474 9.96417 10.3113 numMergedOcc 0
43 mol 230 unq 2 iso 1 dist 5.94606 5.80474 9.96417 11.0218 8.46558 10.3113 numMergedOcc 0
44 mol 230 unq 3 iso 0 dist 5.94606 11.0218 8.46558 4.65404 9.28671 13.2396 numMergedOcc 0
45 mol 230 unq 3 iso 1 dist 5.94606 4.65404 9.28671 11.0218 8.46558 13.2396 numMergedOcc 0
46 mol 230 unq 3 iso 0 dist 5.94606 5.80474 9.96417 4.65404 9.28671 5.64621 numMergedOcc 0
47 mol 230 unq 3 iso 1 dist 5.94606 4.65404 9.28671 5.80474 9.96417 5.64621 numMergedOcc 0
48 mol 252 unq 0 iso 0 dist 7.48298 7.63636 9.84342 9.93981 8.63893 15.1028 numMergedOcc 0
49 mol 252 unq 0 iso 1 dist 7.48298 9.93981 8.63893 7.63636 9.84342 15.1028 numMergedOcc 0
50 mol 283 unq 0 iso 0 dist 8.25636 8.94298 9.74797 11.1503 9.90494 13.4236 numMergedOcc 0
51 mol 283 unq 0 iso 1 dist 8.25636 11.1503 9.90494 8.94298 9.74797 13.4236 numMergedOcc 0
