0 mol 7 unq 0 iso 0 dist 6.22892 5.13744 6.36911 14.5008 13.2247 9.36807 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.17898 12.0005 7.03948 10.6491 6.92781 5.47769 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.17898 12.0005 7.03948 15.8595 10.7015 6.58035 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.84393 6.31174 8.73972 10.1953 5.03957 8.23643 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.10915 12.9814 8.68586 19.0957 10.6748 9.54144 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.66921 11.75 8.68586 16.3435 10.6748 9.54144 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 5.54343 5.68492 8.68586 12.0432 10.6748 9.54144 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 9.99634 11.6323 9.54144 13.7301 10.6748 8.68586 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 4.24428 5.14919 5.64598 6.30194 5.7113 4.65521 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 6.30194 5.14919 4.65521 4.24428 5.7113 5.64598 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 5.79954 13.1044 8.70133 12.8368 7.4697 5.64598 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 5.79954 13.1044 8.70133 10.4766 5.4148 4.65521 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 7.01889 15.124 8.70133 12.424 7.4697 5.64598 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 7.01889 15.124 8.70133 10.997 5.4148 4.65521 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.22376 13.0379 7.22293 9.8682 6.9948 9.47876 numMergedOcc 0
17 mol 87 unq 0 iso 0 dist 9.1329 11.1364 7.51358 9.03114 7.40574 8.32298 numMergedOcc 0
18 mol 87 unq 1 iso 0 dist 5.26938 7.62644 7.51358 8.91602 7.40574 8.32298 numMergedOcc 0
19 mol 87 unq 2 iso 0 dist 6.8014 5.5768 7.51358 11.835 7.40574 8.32298 numMergedOcc 0
20 mol 87 unq 3 iso 0 dist 9.03114 11.1364 8.32298 9.1329 7.40574 7.51358 numMergedOcc 0
21 mol 87 unq 4 iso 0 dist 8.91602 7.62644 8.32298 5.26938 7.40574 7.51358 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 6.30103 9.81259 7.06013 10.2803 5.02055 5.81965 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 6.30103 9.81259 7.06013 14.2941 12.4494 9.70512 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.39771 17.5575 9.20981 12.9387 4.98336 5.87358 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 6.85677 11.7378 8.43904 14.3566 9.22558 6.19042 numMergedOcc 0
26 mol 130 unq 0 iso 0 dist 9.05626 5.53247 6.89257 10.2152 6.83397 6.79146 numMergedOcc 0
27 mol 130 unq 1 iso 0 dist 9.05626 5.53247 6.89257 12.8824 7.50049 7.66168 numMergedOcc 0
28 mol 130 unq 2 iso 0 dist 9.05626 8.63186 8.74308 12.8824 7.50049 9.12581 numMergedOcc 0
29 mol 132 unq 0 iso 0 dist 6.2403 6.58856 6.03703 8.34869 4.35917 7.61505 numMergedOcc 0
30 mol 132 unq 1 iso 0 dist 8.34869 6.58856 7.61505 6.2403 4.35917 6.03703 numMergedOcc 0
31 mol 132 unq 2 iso 0 dist 6.495 10.343 6.03703 9.43748 4.35917 7.61505 numMergedOcc 0
32 mol 132 unq 3 iso 0 dist 9.43748 10.343 7.61505 6.495 4.35917 6.03703 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 5.67862 6.30187 5.42582 10.738 5.49782 8.79571 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 5.67862 6.30187 5.42582 7.97208 5.00817 8.6355 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 7.97208 6.30187 8.6355 10.738 8.80819 8.79571 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 7.97208 6.30187 8.6355 5.67862 5.00817 5.42582 numMergedOcc 0
37 mol 140 unq 0 iso 0 dist 9.41832 6.92517 6.95323 5.44596 6.43459 7.27371 numMergedOcc 0
38 mol 140 unq 1 iso 0 dist 5.44596 6.92517 7.27371 9.41832 6.43459 6.95323 numMergedOcc 0
39 mol 143 unq 0 iso 0 dist 9.18691 9.53126 7.7056 13.6622 5.72828 7.31468 numMergedOcc 0
40 mol 143 unq 1 iso 0 dist 8.90592 4.85796 7.7056 10.0841 5.72828 7.31468 numMergedOcc 0
41 mol 155 unq 0 iso 0 dist 6.53758 6.40439 8.87452 13.7468 12.1545 9.17284 numMergedOcc 0
42 mol 155 unq 1 iso 0 dist 6.53758 6.40439 8.87452 10.2332 4.66274 9.87281 numMergedOcc 0
43 mol 155 unq 2 iso 0 dist 6.53758 6.76022 7.68368 10.2332 4.66274 8.27111 numMergedOcc 0
44 mol 155 unq 3 iso 0 dist 7.28355 10.0058 7.16254 10.2528 5.71071 9.14392 numMergedOcc 0
45 mol 155 unq 4 iso 0 dist 7.28355 10.5375 9.86313 10.2528 5.71071 7.51198 numMergedOcc 0
46 mol 155 unq 5 iso 0 dist 8.66709 7.00069 7.39644 9.91732 10.7616 7.36102 numMergedOcc 0
47 mol 155 unq 6 iso 0 dist 8.66709 14.2312 7.70572 15.5422 7.01918 8.65888 numMergedOcc 0
48 mol 175 unq 0 iso 0 dist 6.6776 10.2578 9.8589 11.1815 7.42466 7.24908 numMergedOcc 0
49 mol 214 unq 0 iso 0 dist 8.47248 15.9026 8.60247 18.1374 10.3105 7.46831 numMergedOcc 0
50 mol 218 unq 0 iso 0 dist 9.88212 12.7227 7.17547 11.5094 7.83217 7.13323 numMergedOcc 0
51 mol 224 unq 0 iso 0 dist 4.79841 7.32238 6.67585 9.04374 4.70378 6.65984 numMergedOcc 0
52 mol 236 unq 0 iso 0 dist 9.97357 11.4732 7.17676 6.36941 7.28249 5.34718 numMergedOcc 0
53 mol 236 unq 1 iso 0 dist 6.36941 11.4732 5.34718 9.97357 7.28249 7.17676 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 8.89538 13.2905 6.77463 13.8505 5.31152 8.14172 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 8.89538 10.4286 7.2766 15.5527 8.87326 6.05141 numMergedOcc 0
56 mol 238 unq 2 iso 0 dist 8.89538 10.4286 7.2766 13.8505 5.31152 8.09066 numMergedOcc 0
57 mol 240 unq 0 iso 0 dist 6.01168 6.40204 6.15305 7.72928 4.28414 7.03489 numMergedOcc 0
58 mol 240 unq 1 iso 0 dist 7.72928 6.40204 7.03489 6.01168 4.28414 6.15305 numMergedOcc 0
59 mol 240 unq 2 iso 0 dist 6.83069 10.6805 6.15305 9.30995 4.28414 7.03489 numMergedOcc 0
60 mol 240 unq 3 iso 0 dist 9.30995 10.6805 7.03489 6.83069 4.28414 6.15305 numMergedOcc 0
61 mol 256 unq 0 iso 0 dist 7.54586 5.34142 8.09363 9.9381 9.92128 5.24676 numMergedOcc 0
62 mol 256 unq 1 iso 0 dist 8.43264 8.04009 5.24676 14.7387 9.92128 8.09363 numMergedOcc 0
63 mol 272 unq 0 iso 0 dist 4.78812 6.99865 6.73206 6.62923 5.40809 9.09992 numMergedOcc 0
64 mol 272 unq 1 iso 0 dist 6.62923 6.99865 9.09992 4.78812 5.40809 6.73206 numMergedOcc 0
65 mol 276 unq 0 iso 0 dist 5.30976 10.4141 8.76347 10.7112 8.88126 9.38971 numMergedOcc 0
66 mol 276 unq 1 iso 0 dist 5.30976 10.4141 8.76347 10.6561 5.50479 8.71541 numMergedOcc 0
67 mol 282 unq 0 iso 0 dist 8.58671 4.91806 6.85028 11.0247 5.39891 7.32347 numMergedOcc 0
68 mol 282 unq 1 iso 0 dist 8.58671 4.91806 6.85028 10.3918 7.76539 8.3411 numMergedOcc 0
69 mol 282 unq 2 iso 0 dist 9.51581 10.8603 7.32347 14.1723 5.39891 6.85028 numMergedOcc 0
70 mol 282 unq 3 iso 0 dist 9.51581 10.8603 7.32347 16.4085 10.5372 8.3411 numMergedOcc 0
