0 mol 13 unq 0 iso 0 dist 9.11704 5.88082 9.20106 10.7665 4.64398 8.73304 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 5.35252 10.6637 9.79657 11.2709 6.26827 9.78023 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.16246 10.4221 6.29755 9.48823 5.58256 7.4038 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 9.48823 10.4221 7.4038 8.16246 5.58256 6.29755 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 9.75299 4.78627 7.66372 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.52643 13.3239 7.76644 9.75299 4.78627 9.99743 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 5.41357 5.65551 5.45684 9.30042 4.78627 7.66372 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 5.41357 9.81422 7.76644 9.30042 4.78627 9.99743 numMergedOcc 0
8 mol 64 unq 4 iso 0 dist 9.75299 7.59945 7.66372 8.52643 4.78627 5.45684 numMergedOcc 0
9 mol 64 unq 5 iso 0 dist 9.75299 13.3239 9.99743 8.52643 4.78627 7.76644 numMergedOcc 0
10 mol 64 unq 6 iso 0 dist 9.30042 5.65551 7.66372 5.41357 4.78627 5.45684 numMergedOcc 0
11 mol 64 unq 7 iso 0 dist 9.30042 9.81422 9.99743 5.41357 4.78627 7.76644 numMergedOcc 0
12 mol 67 unq 0 iso 0 dist 7.51967 6.72978 9.25638 6.04303 4.29326 8.01856 numMergedOcc 0
13 mol 67 unq 1 iso 0 dist 6.04303 6.72978 8.01856 7.51967 4.29326 9.25638 numMergedOcc 0
14 mol 67 unq 2 iso 0 dist 6.12267 6.39609 8.01856 9.79696 4.29326 9.25638 numMergedOcc 0
15 mol 67 unq 3 iso 0 dist 8.27009 6.22963 8.01856 10.7873 4.29326 9.25638 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 7.45777 10.345 6.85356 11.8571 4.56026 6.7939 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 7.45777 14.1204 7.32265 11.8571 4.56026 5.68894 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 8.7142 8.23824 5.37449 15.8537 7.53933 9.52666 numMergedOcc 0
19 mol 99 unq 0 iso 0 dist 8.68674 8.61334 4.82346 16.0978 9.73996 9.39801 numMergedOcc 0
20 mol 99 unq 1 iso 0 dist 8.68674 8.61334 4.82346 12.3208 4.41001 8.89165 numMergedOcc 0
21 mol 99 unq 2 iso 0 dist 8.68674 12.2155 8.07233 16.0978 9.73996 6.02154 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 6.08846 9.13134 6.45169 15.0887 10.7259 9.14809 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 9.19171 9.57821 6.45169 11.328 10.7259 9.14809 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.8353 7.82218 5.92836 10.9375 4.43841 4.73804 numMergedOcc 0
25 mol 140 unq 0 iso 0 dist 9.13339 5.90456 6.55217 11.3016 5.17212 7.21686 numMergedOcc 0
26 mol 140 unq 1 iso 0 dist 7.60956 5.00766 6.55217 9.9171 5.17212 7.21686 numMergedOcc 0
27 mol 140 unq 2 iso 0 dist 9.9171 5.00766 7.21686 7.60956 5.17212 6.55217 numMergedOcc 0
28 mol 162 unq 0 iso 0 dist 6.59407 8.59214 7.08934 11.1626 4.82565 8.87346 numMergedOcc 0
29 mol 165 unq 0 iso 0 dist 9.8755 7.00425 7.8052 10.311 4.94677 8.20329 numMergedOcc 0
30 mol 165 unq 1 iso 0 dist 7.21397 6.27901 7.8052 10.206 4.94677 8.20329 numMergedOcc 0
31 mol 165 unq 2 iso 0 dist 8.46714 9.20479 7.8052 12.4381 4.94677 8.20329 numMergedOcc 0
32 mol 174 unq 0 iso 0 dist 8.16228 5.38744 9.56869 8.57467 5.33032 7.37131 numMergedOcc 0
33 mol 174 unq 1 iso 0 dist 8.57467 5.38744 7.37131 8.16228 5.33032 9.56869 numMergedOcc 0
34 mol 203 unq 0 iso 0 dist 6.84619 4.51654 5.46529 11.2429 5.73409 7.72215 numMergedOcc 0
35 mol 205 unq 0 iso 0 dist 4.81837 6.25023 7.25362 10.7551 10.4442 8.63185 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 5.25149 8.17619 9.57625 8.6368 11.0459 8.08702 numMergedOcc 0
37 mol 220 unq 1 iso 0 dist 8.6368 8.17619 8.08702 5.25149 11.0459 9.57625 numMergedOcc 0
38 mol 223 unq 0 iso 0 dist 6.97426 4.68566 7.96628 8.87456 4.71901 7.76053 numMergedOcc 0
39 mol 223 unq 1 iso 0 dist 8.87456 4.68566 7.76053 6.97426 4.71901 7.96628 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 6.23677 8.8161 8.96263 10.0534 5.19836 7.35677 numMergedOcc 0
41 mol 224 unq 1 iso 0 dist 9.04741 9.46987 8.96263 11.9839 5.19836 7.35677 numMergedOcc 0
42 mol 224 unq 2 iso 0 dist 7.31608 3.92881 8.96263 7.96226 5.19836 7.35677 numMergedOcc 0
43 mol 224 unq 3 iso 0 dist 7.96226 3.92881 7.35677 7.31608 5.19836 8.96263 numMergedOcc 0
44 mol 224 unq 4 iso 0 dist 8.82663 11.6942 7.35677 10.6574 5.19836 8.96263 numMergedOcc 0
45 mol 228 unq 0 iso 0 dist 9.9685 7.17017 8.22515 9.46473 8.70123 9.64659 numMergedOcc 0
46 mol 254 unq 0 iso 0 dist 9.54511 9.66767 5.73448 14.1448 7.61007 9.54526 numMergedOcc 0
47 mol 258 unq 0 iso 0 dist 8.10903 5.79358 8.73425 7.25618 5.31174 9.65711 numMergedOcc 0
48 mol 258 unq 1 iso 0 dist 8.70193 7.88062 9.65711 11.866 5.31174 8.73425 numMergedOcc 0
49 mol 258 unq 2 iso 0 dist 7.25618 5.79358 9.65711 8.10903 5.31174 8.73425 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 7.58385 6.29331 8.25759 6.0437 5.29945 6.99444 numMergedOcc 0
51 mol 261 unq 1 iso 0 dist 6.0437 6.29331 6.99444 7.58385 5.29945 8.25759 numMergedOcc 0
52 mol 261 unq 2 iso 0 dist 4.85199 6.40309 6.99444 9.25991 5.29945 8.25759 numMergedOcc 0
53 mol 261 unq 3 iso 0 dist 9.13604 5.91745 6.99444 12.7905 5.29945 8.25759 numMergedOcc 0
54 mol 273 unq 0 iso 0 dist 5.78262 7.01631 7.84151 14.2673 12.9925 7.85797 numMergedOcc 0
55 mol 282 unq 0 iso 0 dist 8.54984 6.0405 8.30313 6.04225 5.72971 6.51248 numMergedOcc 0
56 mol 282 unq 1 iso 0 dist 6.04225 6.0405 6.51248 8.54984 5.72971 8.30313 numMergedOcc 0
57 mol 282 unq 2 iso 0 dist 5.00258 6.38947 6.51248 10.1355 5.72971 8.30313 numMergedOcc 0
58 mol 282 unq 3 iso 0 dist 8.22117 5.98603 6.51248 12.5071 5.72971 8.30313 numMergedOcc 0
59 mol 287 unq 0 iso 0 dist 5.15923 11.7624 9.30394 11.2356 8.60638 8.5458 numMergedOcc 0
60 mol 287 unq 1 iso 0 dist 5.15923 11.7624 9.30394 15.1646 12.7579 8.47385 numMergedOcc 0
61 mol 287 unq 2 iso 0 dist 5.15923 11.7624 9.30394 19.7333 17.1913 8.44356 numMergedOcc 0
62 mol 287 unq 3 iso 0 dist 5.15923 5.58788 5.84467 11.2356 8.60638 8.56533 numMergedOcc 0
63 mol 287 unq 4 iso 0 dist 7.14859 14.0575 8.5458 10.9141 8.60638 9.30394 numMergedOcc 0
64 mol 287 unq 5 iso 0 dist 7.14859 14.0575 8.5458 10.5378 4.9954 8.47385 numMergedOcc 0
65 mol 287 unq 6 iso 0 dist 7.14859 14.0575 8.5458 18.5652 12.5806 8.44356 numMergedOcc 0
66 mol 287 unq 7 iso 0 dist 7.14859 10.6005 8.56533 10.9141 8.60638 5.84467 numMergedOcc 0
67 mol 288 unq 0 iso 0 dist 5.15923 11.7624 9.30394 11.2356 8.60638 8.5458 numMergedOcc 0
68 mol 288 unq 1 iso 0 dist 5.15923 11.7624 9.30394 15.1646 12.7579 8.47385 numMergedOcc 0
69 mol 288 unq 2 iso 0 dist 5.15923 11.7624 9.30394 19.7333 17.1913 8.44356 numMergedOcc 0
70 mol 288 unq 3 iso 0 dist 5.15923 5.58788 5.84467 11.2356 8.60638 8.56533 numMergedOcc 0
71 mol 288 unq 4 iso 0 dist 7.14859 14.0575 8.5458 10.9141 8.60638 9.30394 numMergedOcc 0
72 mol 288 unq 5 iso 0 dist 7.14859 14.0575 8.5458 10.5378 4.9954 8.47385 numMergedOcc 0
73 mol 288 unq 6 iso 0 dist 7.14859 14.0575 8.5458 18.5652 12.5806 8.44356 numMergedOcc 0
74 mol 288 unq 7 iso 0 dist 7.14859 10.6005 8.56533 10.9141 8.60638 5.84467 numMergedOcc 0
75 mol 289 unq 0 iso 0 dist 5.15923 11.7624 9.30394 11.2356 8.60638 8.5458 numMergedOcc 0
76 mol 289 unq 1 iso 0 dist 5.15923 11.7624 9.30394 15.1646 12.7579 8.47385 numMergedOcc 0
77 mol 289 unq 2 iso 0 dist 5.15923 11.7624 9.30394 19.7333 17.1913 8.44356 numMergedOcc 0
78 mol 289 unq 3 iso 0 dist 5.15923 5.58788 5.84467 11.2356 8.60638 8.56533 numMergedOcc 0
79 mol 289 unq 4 iso 0 dist 7.14859 14.0575 8.5458 10.9141 8.60638 9.30394 numMergedOcc 0
80 mol 289 unq 5 iso 0 dist 7.14859 14.0575 8.5458 10.5378 4.9954 8.47385 numMergedOcc 0
81 mol 289 unq 6 iso 0 dist 7.14859 14.0575 8.5458 18.5652 12.5806 8.44356 numMergedOcc 0
82 mol 289 unq 7 iso 0 dist 7.14859 10.6005 8.56533 10.9141 8.60638 5.84467 numMergedOcc 0
