0 mol 11 unq 0 iso 0 dist 9.74528 11.5768 4.79838 15.0022 6.83186 3.56133 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 6.80828 4.78536 5.34723 4.52631 9.2087 5.64409 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.43913 4.16088 7.03832 5.39197 8.65524 5.59994 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 5.43913 4.16088 7.03832 9.53255 8.96151 7.78417 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 5.43913 4.16088 7.03832 7.75132 9.02535 5.47187 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.26877 4.16088 7.16443 5.39197 8.22812 5.59994 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.26877 4.16088 7.16443 9.53255 4.22002 7.78417 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 8.26877 4.16088 7.16443 7.75132 5.77855 5.47187 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 8.26877 4.16088 7.16443 14.2848 8.10774 12.2824 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 8.26877 4.16088 7.16443 12.4977 6.5241 12.3016 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.99434 8.93697 7.16443 12.2756 8.22812 5.59994 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 7.99434 8.93697 7.16443 8.12843 4.22002 7.78417 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 7.99434 8.93697 7.16443 8.16676 5.77855 5.47187 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 7.99434 8.93697 7.16443 9.72202 8.10774 12.2824 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 7.99434 8.93697 7.16443 12.7252 6.5241 12.3016 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 7.49794 4.09894 7.08628 13.819 8.14245 12.2601 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 7.49794 4.09894 7.08628 11.8742 6.36817 12.2529 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 7.49794 4.09894 7.08628 5.44298 8.0812 5.98272 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 7.49794 4.09894 7.08628 9.10301 4.17933 7.83821 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 7.49794 4.09894 7.08628 7.24268 5.54893 5.51708 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 8.10222 8.4264 7.08628 9.57893 8.14245 12.2601 numMergedOcc 0
21 mol 48 unq 19 iso 0 dist 8.10222 8.4264 7.08628 12.6437 6.36817 12.2529 numMergedOcc 0
22 mol 48 unq 20 iso 0 dist 8.10222 8.4264 7.08628 12.0687 8.0812 5.98272 numMergedOcc 0
23 mol 48 unq 21 iso 0 dist 8.10222 8.4264 7.08628 7.88988 4.17933 7.83821 numMergedOcc 0
24 mol 48 unq 22 iso 0 dist 8.10222 8.4264 7.08628 8.00934 5.54893 5.51708 numMergedOcc 0
25 mol 76 unq 0 iso 0 dist 5.91098 13.8036 8.90522 11.6853 7.66068 10.865 numMergedOcc 0
26 mol 76 unq 1 iso 0 dist 5.91098 13.8036 8.90522 15.0489 9.5043 10.2651 numMergedOcc 0
27 mol 76 unq 2 iso 0 dist 5.91098 13.8036 8.90522 14.2393 8.34132 5.92868 numMergedOcc 0
28 mol 76 unq 3 iso 0 dist 4.86523 6.63393 8.90522 4.94673 7.66068 10.865 numMergedOcc 0
29 mol 76 unq 4 iso 0 dist 4.86523 6.63393 8.90522 5.78236 9.5043 10.2651 numMergedOcc 0
30 mol 76 unq 5 iso 0 dist 4.86523 6.63393 8.90522 4.73151 8.34132 5.92868 numMergedOcc 0
31 mol 79 unq 0 iso 0 dist 4.2253 5.79235 5.82384 8.65653 6.20144 4.39784 numMergedOcc 0
32 mol 79 unq 1 iso 0 dist 4.2253 8.29654 7.15907 8.65653 6.20144 5.01567 numMergedOcc 0
33 mol 85 unq 0 iso 0 dist 8.66427 10.6818 6.54289 5.26904 7.07839 11.6623 numMergedOcc 0
34 mol 85 unq 1 iso 0 dist 8.66427 10.6818 6.54289 11.9441 9.09711 15.6048 numMergedOcc 0
35 mol 85 unq 2 iso 0 dist 8.66427 10.6818 6.54289 13.8217 7.04244 10.803 numMergedOcc 0
36 mol 85 unq 3 iso 0 dist 8.66427 10.6818 6.54289 6.77316 7.91193 13.4097 numMergedOcc 0
37 mol 85 unq 4 iso 0 dist 8.66427 10.6818 6.54289 9.54731 9.63449 5.49707 numMergedOcc 0
38 mol 85 unq 5 iso 0 dist 8.66427 6.24598 7.52869 5.26904 7.07839 4.86391 numMergedOcc 0
39 mol 85 unq 6 iso 0 dist 8.66427 6.24598 7.52869 11.9441 9.09711 11.6463 numMergedOcc 0
40 mol 85 unq 7 iso 0 dist 8.66427 6.24598 7.52869 13.8217 7.04244 9.46256 numMergedOcc 0
41 mol 85 unq 8 iso 0 dist 8.66427 6.24598 7.52869 9.54731 9.63449 11.3191 numMergedOcc 0
42 mol 85 unq 9 iso 0 dist 8.66427 6.24598 7.52869 6.77316 7.91193 8.06224 numMergedOcc 0
43 mol 85 unq 10 iso 0 dist 8.66427 12.0327 9.18945 5.26904 7.07839 9.18879 numMergedOcc 0
44 mol 85 unq 11 iso 0 dist 8.66427 12.0327 9.18945 11.9441 9.09711 13.1591 numMergedOcc 0
45 mol 85 unq 12 iso 0 dist 8.66427 12.0327 9.18945 13.8217 7.04244 6.34431 numMergedOcc 0
46 mol 85 unq 13 iso 0 dist 8.66427 12.0327 9.18945 9.54731 9.63449 14.7195 numMergedOcc 0
47 mol 85 unq 14 iso 0 dist 8.66427 12.0327 9.18945 6.77316 7.91193 11.8663 numMergedOcc 0
48 mol 85 unq 15 iso 0 dist 7.51319 12.8729 5.61151 6.90443 6.67137 10.803 numMergedOcc 0
49 mol 85 unq 16 iso 0 dist 7.51319 12.8729 5.61151 17.0873 9.78707 5.49707 numMergedOcc 0
50 mol 85 unq 17 iso 0 dist 8.49887 12.8729 6.54289 13.5026 7.07839 11.6623 numMergedOcc 0
51 mol 85 unq 18 iso 0 dist 8.49887 12.8729 6.54289 10.1386 9.09711 15.6048 numMergedOcc 0
52 mol 85 unq 19 iso 0 dist 8.49887 12.8729 6.54289 6.90443 7.04244 10.803 numMergedOcc 0
53 mol 85 unq 20 iso 0 dist 8.49887 12.8729 6.54289 13.1772 7.91193 13.4097 numMergedOcc 0
54 mol 85 unq 21 iso 0 dist 8.49887 12.8729 6.54289 17.0873 9.63449 5.49707 numMergedOcc 0
55 mol 85 unq 22 iso 0 dist 8.49887 14.5743 7.52869 13.5026 7.07839 4.86391 numMergedOcc 0
56 mol 85 unq 23 iso 0 dist 8.49887 14.5743 7.52869 10.1386 9.09711 11.6463 numMergedOcc 0
57 mol 85 unq 24 iso 0 dist 8.49887 14.5743 7.52869 6.90443 7.04244 9.46256 numMergedOcc 0
58 mol 85 unq 25 iso 0 dist 8.49887 14.5743 7.52869 17.0873 9.63449 11.3191 numMergedOcc 0
59 mol 85 unq 26 iso 0 dist 8.49887 14.5743 7.52869 13.1772 7.91193 8.06224 numMergedOcc 0
60 mol 85 unq 27 iso 0 dist 8.49887 13.0766 9.18945 13.5026 7.07839 9.18879 numMergedOcc 0
61 mol 85 unq 28 iso 0 dist 8.49887 13.0766 9.18945 10.1386 9.09711 13.1591 numMergedOcc 0
62 mol 85 unq 29 iso 0 dist 8.49887 13.0766 9.18945 6.90443 7.04244 6.34431 numMergedOcc 0
63 mol 85 unq 30 iso 0 dist 8.49887 13.0766 9.18945 17.0873 9.63449 14.7195 numMergedOcc 0
64 mol 85 unq 31 iso 0 dist 8.49887 13.0766 9.18945 13.1772 7.91193 11.8663 numMergedOcc 0
65 mol 85 unq 32 iso 0 dist 9.43839 3.97167 5.61151 14.6513 6.67137 10.803 numMergedOcc 0
66 mol 85 unq 33 iso 0 dist 9.43839 3.97167 5.61151 4.43737 9.78707 5.49707 numMergedOcc 0
67 mol 193 unq 0 iso 0 dist 9.13587 11.6584 6.17074 16.5276 8.30069 6.11405 numMergedOcc 0
68 mol 193 unq 1 iso 0 dist 9.13587 11.6584 6.17074 15.3446 8.83551 3.90046 numMergedOcc 0
69 mol 204 unq 0 iso 0 dist 8.77524 5.64245 4.51124 10.6524 8.32259 6.68247 numMergedOcc 0
70 mol 204 unq 1 iso 0 dist 8.77524 5.64245 4.51124 9.88337 9.93489 7.51762 numMergedOcc 0
71 mol 225 unq 0 iso 0 dist 7.78392 6.64449 8.9632 13.4414 9.54529 8.74865 numMergedOcc 0
72 mol 254 unq 0 iso 0 dist 9.84028 6.69832 6.59989 11.4342 7.85841 4.84855 numMergedOcc 0
73 mol 254 unq 1 iso 0 dist 9.84028 6.69832 6.59989 11.2466 9.20109 5.67608 numMergedOcc 0
74 mol 256 unq 0 iso 0 dist 6.33954 5.34142 5.85613 6.51471 5.58222 3.89364 numMergedOcc 0
75 mol 260 unq 0 iso 0 dist 6.90472 8.32254 8.8385 11.9315 8.62655 11.4575 numMergedOcc 0
76 mol 266 unq 0 iso 0 dist 6.48382 12.9391 9.6721 5.79323 6.96692 16.2268 numMergedOcc 0
77 mol 266 unq 1 iso 0 dist 6.48382 12.9391 9.6721 7.52317 8.25286 16.7453 numMergedOcc 0
78 mol 266 unq 2 iso 0 dist 6.48382 12.9391 9.6721 9.52953 9.9965 17.4207 numMergedOcc 0
79 mol 285 unq 0 iso 0 dist 4.95596 8.9423 6.01404 4.57431 5.88958 6.01515 numMergedOcc 0
