0 mol 60 unq 0 iso 0 dist 7.15352 9.28444 6.65595 11.0491 9.25011 4.73512 10.7546 7.57295 7.80499 5.6397 numMergedOcc 0
1 mol 60 unq 0 iso 1 dist 7.15352 11.0491 9.25011 9.28444 6.65595 4.73512 10.7546 7.57295 5.6397 7.80499 numMergedOcc 0
2 mol 60 unq 1 iso 0 dist 7.15352 9.28444 6.65595 4.80738 6.43294 10.6819 10.7546 7.57295 7.80499 8.62476 numMergedOcc 0
3 mol 60 unq 1 iso 1 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 10.7546 7.57295 8.62476 7.80499 numMergedOcc 0
4 mol 60 unq 2 iso 0 dist 7.15352 9.28444 6.65595 6.28337 8.52121 8.93946 10.7546 7.57295 7.80499 6.55502 numMergedOcc 0
5 mol 60 unq 2 iso 1 dist 7.15352 6.28337 8.52121 9.28444 6.65595 8.93946 10.7546 7.57295 6.55502 7.80499 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 7.15352 11.0491 9.25011 4.80738 6.43294 11.3621 10.7546 7.57295 5.6397 8.62476 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 10.7546 7.57295 8.62476 5.6397 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 7.15352 11.0491 9.25011 6.28337 8.52121 7.66664 10.7546 7.57295 5.6397 6.55502 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 7.15352 6.28337 8.52121 11.0491 9.25011 7.66664 10.7546 7.57295 6.55502 5.6397 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 10.7546 7.57295 8.62476 6.55502 numMergedOcc 0
11 mol 60 unq 2 iso 1 dist 7.15352 6.28337 8.52121 4.80738 6.43294 5.51199 10.7546 7.57295 6.55502 8.62476 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 9.9705 6.19965 4.26409 11.3963 7.7068 6.36397 4.41789 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 9.67557 9.9705 6.19965 6.53819 7.95579 4.26409 11.3963 7.7068 4.41789 6.36397 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.67557 6.53819 7.95579 15.3279 7.66905 10.7229 11.3963 7.7068 6.36397 5.59906 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 11.3963 7.7068 5.59906 6.36397 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 15.3279 7.66905 6.9948 11.3963 7.7068 4.41789 5.59906 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 11.3963 7.7068 5.59906 4.41789 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 9.64673 12.0894 7.27724 16.4832 8.03644 8.41707 10.6733 9.3948 3.94537 11.3215 numMergedOcc 0
19 mol 95 unq 0 iso 1 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 10.6733 9.3948 11.3215 3.94537 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 9.64673 12.0894 7.27724 16.4832 8.03644 8.41707 15.954 9.74607 6.12605 5.06946 numMergedOcc 0
21 mol 95 unq 1 iso 1 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 15.954 9.74607 5.06946 6.12605 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 4.75197 5.83991 7.69052 6.27754 6.24825 6.95773 6.01673 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 6.27754 6.24825 6.01673 6.95773 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 7.07082 7.21868 8.06642 4.00092 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 9.16358 9.66197 9.86662 10.0911 8.94367 6.81259 7.07082 7.21868 4.00092 8.06642 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 9.80637 9.33924 6.95573 10.2026 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 6.48328 9.66197 9.71307 10.0911 6.37586 6.81259 9.80637 9.33924 10.2026 6.95573 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 7.07082 7.93372 8.06642 4.00092 numMergedOcc 0
29 mol 134 unq 2 iso 1 dist 6.48328 9.66197 9.71307 10.0911 6.37586 6.81259 7.07082 7.93372 4.00092 8.06642 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 10.2893 6.43573 5.34677 11.4463 9.11204 8.44333 6.8202 numMergedOcc 0
31 mol 178 unq 0 iso 1 dist 9.63185 10.2893 6.43573 14.4816 6.69288 5.34677 11.4463 9.11204 6.8202 8.44333 numMergedOcc 0
32 mol 178 unq 1 iso 0 dist 9.63185 14.4816 6.69288 9.7684 7.17202 11.7381 11.4463 9.11204 8.44333 14.9499 numMergedOcc 0
33 mol 178 unq 1 iso 1 dist 9.63185 9.7684 7.17202 14.4816 6.69288 11.7381 11.4463 9.11204 14.9499 8.44333 numMergedOcc 0
34 mol 178 unq 2 iso 0 dist 9.63185 14.4816 6.69288 5.37264 8.81551 14.0703 11.4463 9.11204 8.44333 14.2467 numMergedOcc 0
35 mol 178 unq 2 iso 1 dist 9.63185 5.37264 8.81551 14.4816 6.69288 14.0703 11.4463 9.11204 14.2467 8.44333 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 9.63185 10.2893 6.43573 9.7684 7.17202 9.89739 11.4463 9.11204 6.8202 14.9499 numMergedOcc 0
37 mol 178 unq 1 iso 1 dist 9.63185 9.7684 7.17202 10.2893 6.43573 9.89739 11.4463 9.11204 14.9499 6.8202 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 9.63185 10.2893 6.43573 5.37264 8.81551 10.5529 11.4463 9.11204 6.8202 14.2467 numMergedOcc 0
39 mol 178 unq 2 iso 1 dist 9.63185 5.37264 8.81551 10.2893 6.43573 10.5529 11.4463 9.11204 14.2467 6.8202 numMergedOcc 0
40 mol 178 unq 2 iso 0 dist 9.63185 9.7684 7.17202 5.37264 8.81551 5.18005 11.4463 9.11204 14.9499 14.2467 numMergedOcc 0
41 mol 178 unq 2 iso 1 dist 9.63185 5.37264 8.81551 9.7684 7.17202 5.18005 11.4463 9.11204 14.2467 14.9499 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 10.2677 8.51516 10.8344 14.13 7.9133 10.7169 5.57347 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 9.44947 10.2677 8.51516 10.5243 7.10633 10.8344 14.13 7.9133 5.57347 10.7169 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 11.993 7.26832 7.38516 10.3649 6.52816 9.49403 13.514 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 8.52924 11.993 7.26832 7.17157 6.03031 7.38516 10.3649 6.52816 13.514 9.49403 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 8.52924 7.17157 6.03031 9.67882 7.80463 8.18714 10.3649 6.52816 9.49403 3.56269 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 8.52924 9.67882 7.80463 7.17157 6.03031 8.18714 10.3649 6.52816 3.56269 9.49403 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 9.67882 7.80463 13.8543 10.3649 6.52816 13.514 3.56269 numMergedOcc 0
49 mol 205 unq 1 iso 1 dist 8.52924 9.67882 7.80463 11.993 7.26832 13.8543 10.3649 6.52816 3.56269 13.514 numMergedOcc 0
50 mol 205 unq 2 iso 0 dist 6.94789 6.98812 9.61492 12.019 7.45763 11.8283 6.16492 6.49765 10.6504 8.67921 numMergedOcc 0
51 mol 205 unq 2 iso 1 dist 6.94789 12.019 7.45763 6.98812 9.61492 11.8283 6.16492 6.49765 8.67921 10.6504 numMergedOcc 0
52 mol 205 unq 3 iso 0 dist 6.23932 13.4557 9.61492 4.37383 7.45763 11.8283 9.99561 6.49765 10.6504 8.67921 numMergedOcc 0
53 mol 205 unq 3 iso 1 dist 6.23932 4.37383 7.45763 13.4557 9.61492 11.8283 9.99561 6.49765 8.67921 10.6504 numMergedOcc 0
54 mol 214 unq 0 iso 0 dist 9.92165 10.1227 9.65138 6.83063 7.14453 9.10746 14.5969 7.46481 11.4955 8.459 numMergedOcc 0
55 mol 214 unq 0 iso 1 dist 9.92165 6.83063 7.14453 10.1227 9.65138 9.10746 14.5969 7.46481 8.459 11.4955 numMergedOcc 0
56 mol 214 unq 1 iso 0 dist 9.92165 10.1227 9.65138 12.7439 8.85478 4.40923 14.5969 7.46481 11.4955 11.1534 numMergedOcc 0
57 mol 214 unq 1 iso 1 dist 9.92165 12.7439 8.85478 10.1227 9.65138 4.40923 14.5969 7.46481 11.1534 11.4955 numMergedOcc 0
58 mol 214 unq 1 iso 0 dist 9.92165 6.83063 7.14453 12.7439 8.85478 11.3796 14.5969 7.46481 8.459 11.1534 numMergedOcc 0
59 mol 214 unq 1 iso 1 dist 9.92165 12.7439 8.85478 6.83063 7.14453 11.3796 14.5969 7.46481 11.1534 8.459 numMergedOcc 0
60 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 10.4837 7.54212 6.8425 4.54951 6.74196 8.84507 12.8595 numMergedOcc 0
61 mol 222 unq 0 iso 1 dist 6.77368 10.4837 7.54212 8.47937 6.00706 6.8425 4.54951 6.74196 12.8595 8.84507 numMergedOcc 0
62 mol 222 unq 1 iso 0 dist 6.77368 8.47937 6.00706 10.4837 7.54212 6.8425 10.5815 8.36842 6.02502 12.5866 numMergedOcc 0
63 mol 222 unq 1 iso 1 dist 6.77368 10.4837 7.54212 8.47937 6.00706 6.8425 10.5815 8.36842 12.5866 6.02502 numMergedOcc 0
64 mol 222 unq 2 iso 0 dist 6.77368 8.47937 6.00706 10.4837 7.54212 6.8425 10.7456 9.75472 5.18677 11.9567 numMergedOcc 0
65 mol 222 unq 2 iso 1 dist 6.77368 10.4837 7.54212 8.47937 6.00706 6.8425 10.7456 9.75472 11.9567 5.18677 numMergedOcc 0
66 mol 222 unq 3 iso 0 dist 7.73634 4.81992 6.00706 9.69122 7.54212 6.8425 11.1253 6.74196 8.84507 12.8595 numMergedOcc 0
67 mol 222 unq 3 iso 1 dist 7.73634 9.69122 7.54212 4.81992 6.00706 6.8425 11.1253 6.74196 12.8595 8.84507 numMergedOcc 0
68 mol 222 unq 4 iso 0 dist 7.73634 4.81992 6.00706 9.69122 7.54212 6.8425 5.10026 8.36842 6.02502 12.5866 numMergedOcc 0
69 mol 222 unq 4 iso 1 dist 7.73634 9.69122 7.54212 4.81992 6.00706 6.8425 5.10026 8.36842 12.5866 6.02502 numMergedOcc 0
70 mol 222 unq 5 iso 0 dist 7.73634 4.81992 6.00706 9.69122 7.54212 6.8425 5.90399 9.75472 5.18677 11.9567 numMergedOcc 0
71 mol 222 unq 5 iso 1 dist 7.73634 9.69122 7.54212 4.81992 6.00706 6.8425 5.90399 9.75472 11.9567 5.18677 numMergedOcc 0
72 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 5.92282 5.23634 5.0317 5.83175 numMergedOcc 0
73 mol 227 unq 0 iso 1 dist 8.27093 10.9533 7.09863 10.9396 7.22101 4.39704 5.92282 5.23634 5.83175 5.0317 numMergedOcc 0
74 mol 236 unq 0 iso 0 dist 7.87233 15.6279 9.81562 13.7246 7.68742 5.79505 16.5242 9.3206 4.27181 4.89609 numMergedOcc 0
75 mol 236 unq 0 iso 1 dist 7.87233 13.7246 7.68742 15.6279 9.81562 5.79505 16.5242 9.3206 4.89609 4.27181 numMergedOcc 0
76 mol 236 unq 1 iso 0 dist 7.87233 15.6279 9.81562 10.5269 6.27581 9.90963 16.5242 9.3206 4.27181 10.5774 numMergedOcc 0
77 mol 236 unq 1 iso 1 dist 7.87233 10.5269 6.27581 15.6279 9.81562 9.90963 16.5242 9.3206 10.5774 4.27181 numMergedOcc 0
78 mol 236 unq 1 iso 0 dist 7.87233 13.7246 7.68742 10.5269 6.27581 11.3368 16.5242 9.3206 4.89609 10.5774 numMergedOcc 0
79 mol 236 unq 1 iso 1 dist 7.87233 10.5269 6.27581 13.7246 7.68742 11.3368 16.5242 9.3206 10.5774 4.89609 numMergedOcc 0
