0 mol 8 unq 0 iso 0 dist 9.62879 9.01112 7.12261 10.9495 10.9634 6.56356 6.23795 12.4058 7.62333 8.09332 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.62879 9.01112 7.12261 6.23795 12.4058 7.62333 10.9495 10.9634 6.56356 8.09332 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.79773 11.715 8.66539 5.47421 7.32874 8.69057 10.8779 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 6.81627 5.38524 5.61579 5.47421 7.32874 8.69057 5.79773 11.715 8.66539 10.8779 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 10.8779 11.715 8.66539 5.47421 6.81627 5.38524 5.79773 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 7.32874 8.69057 5.61579 5.47421 6.81627 5.38524 10.8779 11.715 8.66539 5.79773 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 6.64012 9.08221 4.00553 7.5247 10.3988 9.97769 10.0658 11.221 9.32706 5.23069 numMergedOcc 0
7 mol 58 unq 2 iso 1 dist 6.64012 9.08221 4.00553 10.0658 11.221 9.32706 7.5247 10.3988 9.97769 5.23069 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 9.4099 9.08221 8.55984 7.5247 11.9025 9.97769 10.0658 14.7109 9.32706 5.23069 numMergedOcc 0
9 mol 58 unq 3 iso 1 dist 9.4099 9.08221 8.55984 10.0658 14.7109 9.32706 7.5247 11.9025 9.97769 5.23069 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 6.65595 7.57295 7.80499 5.67502 11.1899 8.4312 6.54743 8.90863 7.48086 5.00018 numMergedOcc 0
11 mol 60 unq 0 iso 1 dist 6.65595 7.57295 7.80499 6.54743 8.90863 7.48086 5.67502 11.1899 8.4312 5.00018 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.90863 7.48086 7.80499 6.54743 6.65595 7.57295 5.00018 11.1899 8.4312 5.67502 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 8.90863 7.48086 7.80499 5.00018 11.1899 8.4312 6.54743 6.65595 7.57295 5.67502 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 9.25011 7.57295 5.6397 5.67502 12.4656 8.4312 6.54743 10.0828 7.48086 5.00018 numMergedOcc 0
15 mol 60 unq 2 iso 1 dist 9.25011 7.57295 5.6397 6.54743 10.0828 7.48086 5.67502 12.4656 8.4312 5.00018 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 6.43294 7.57295 8.62476 5.67502 8.7531 8.4312 6.54743 11.5843 7.48086 5.00018 numMergedOcc 0
17 mol 60 unq 3 iso 1 dist 6.43294 7.57295 8.62476 6.54743 11.5843 7.48086 5.67502 8.7531 8.4312 5.00018 numMergedOcc 0
18 mol 60 unq 4 iso 0 dist 8.7531 8.4312 8.62476 5.67502 6.43294 7.57295 5.00018 11.5843 7.48086 6.54743 numMergedOcc 0
19 mol 60 unq 4 iso 1 dist 8.7531 8.4312 8.62476 5.00018 11.5843 7.48086 5.67502 6.43294 7.57295 6.54743 numMergedOcc 0
20 mol 60 unq 5 iso 0 dist 8.52121 7.57295 6.55502 5.67502 11.6311 8.4312 6.54743 12.4757 7.48086 5.00018 numMergedOcc 0
21 mol 60 unq 5 iso 1 dist 8.52121 7.57295 6.55502 6.54743 12.4757 7.48086 5.67502 11.6311 8.4312 5.00018 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 8.8178 7.12321 4.27726 5.36766 12.8385 9.74228 8.24309 9.84449 6.21799 7.04035 numMergedOcc 0
23 mol 72 unq 0 iso 1 dist 8.8178 7.12321 4.27726 8.24309 9.84449 6.21799 5.36766 12.8385 9.74228 7.04035 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 9.96708 7.12321 7.47371 5.36766 10.8086 9.74228 8.24309 9.78528 6.21799 7.04035 numMergedOcc 0
25 mol 72 unq 1 iso 1 dist 9.96708 7.12321 7.47371 8.24309 9.78528 6.21799 5.36766 10.8086 9.74228 7.04035 numMergedOcc 0
26 mol 72 unq 2 iso 0 dist 9.78528 6.21799 7.47371 7.04035 10.8086 9.74228 8.24309 9.96708 7.12321 5.36766 numMergedOcc 0
27 mol 72 unq 2 iso 1 dist 9.78528 6.21799 7.47371 8.24309 9.96708 7.12321 7.04035 10.8086 9.74228 5.36766 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 8.40073 6.10456 5.2571 9.42358 numMergedOcc 0
29 mol 98 unq 0 iso 1 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 9.51923 6.48948 5.92242 9.42358 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 10.2427 10.1136 8.7497 13.9786 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 9.51923 6.48948 5.92242 13.9786 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 10.2427 10.1136 8.7497 5.02887 numMergedOcc 0
33 mol 98 unq 1 iso 1 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 8.40073 6.10456 5.2571 5.02887 numMergedOcc 0
34 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 9.42358 6.10456 5.2571 8.40073 numMergedOcc 0
35 mol 98 unq 2 iso 1 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 9.51923 5.08437 5.10496 8.40073 numMergedOcc 0
36 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 13.9786 10.1136 8.7497 10.2427 numMergedOcc 0
37 mol 98 unq 3 iso 1 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 9.51923 5.08437 5.10496 10.2427 numMergedOcc 0
38 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 13.9786 10.1136 8.7497 5.02887 numMergedOcc 0
39 mol 98 unq 3 iso 1 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 9.42358 6.10456 5.2571 5.02887 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 13.659 17.4071 9.64383 5.02887 10.1136 7.78931 14.591 numMergedOcc 0
41 mol 98 unq 4 iso 1 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 13.659 17.4071 9.64383 14.591 numMergedOcc 0
42 mol 98 unq 5 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 9.42358 6.48948 5.92242 9.51923 numMergedOcc 0
43 mol 98 unq 5 iso 1 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 8.40073 5.08437 5.10496 9.51923 numMergedOcc 0
44 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 5.02887 10.1136 8.7497 10.2427 numMergedOcc 0
45 mol 98 unq 6 iso 1 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 8.40073 5.08437 5.10496 10.2427 numMergedOcc 0
46 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 5.02887 10.1136 8.7497 13.9786 numMergedOcc 0
47 mol 98 unq 6 iso 1 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 9.42358 6.48948 5.92242 13.9786 numMergedOcc 0
48 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 9.93257 16.4353 8.95212 4.85907 10.3704 6.99446 10.9871 numMergedOcc 0
49 mol 119 unq 0 iso 1 dist 8.73993 7.64052 9.68677 4.85907 10.3704 6.99446 9.93257 16.4353 8.95212 10.9871 numMergedOcc 0
50 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 10.9871 13.9919 8.95212 4.85907 12.6489 7.64052 9.93257 numMergedOcc 0
51 mol 119 unq 1 iso 1 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 10.9871 13.9919 8.95212 9.93257 numMergedOcc 0
52 mol 119 unq 2 iso 0 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 9.93257 9.72413 7.64052 4.85907 numMergedOcc 0
53 mol 119 unq 2 iso 1 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 10.9871 10.1813 6.99446 4.85907 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 5.62899 11.7385 9.66543 5.49782 6.37586 7.93372 10.7144 numMergedOcc 0
55 mol 134 unq 0 iso 1 dist 8.94367 7.21868 8.06642 5.49782 6.37586 7.93372 5.62899 11.7385 9.66543 10.7144 numMergedOcc 0
56 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 10.7144 11.7385 9.66543 5.49782 8.94367 7.21868 5.62899 numMergedOcc 0
57 mol 134 unq 1 iso 1 dist 6.37586 7.93372 8.06642 5.49782 8.94367 7.21868 10.7144 11.7385 9.66543 5.62899 numMergedOcc 0
58 mol 134 unq 2 iso 0 dist 9.86662 7.21868 4.00092 5.62899 11.3835 9.66543 5.49782 9.71307 7.93372 10.7144 numMergedOcc 0
59 mol 134 unq 2 iso 1 dist 9.86662 7.21868 4.00092 5.49782 9.71307 7.93372 5.62899 11.3835 9.66543 10.7144 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 9.86662 9.1998 12.8086 11.6064 15.281 6.42772 7.09823 14.0375 8.70621 13.7309 numMergedOcc 0
61 mol 134 unq 3 iso 1 dist 9.86662 9.1998 12.8086 7.09823 14.0375 8.70621 11.6064 15.281 6.42772 13.7309 numMergedOcc 0
62 mol 134 unq 4 iso 0 dist 9.71307 7.93372 4.00092 10.7144 11.3835 9.66543 5.49782 9.86662 7.21868 5.62899 numMergedOcc 0
63 mol 134 unq 4 iso 1 dist 9.71307 7.93372 4.00092 5.49782 9.86662 7.21868 10.7144 11.3835 9.66543 5.62899 numMergedOcc 0
64 mol 134 unq 5 iso 0 dist 9.71307 9.1998 15.0225 11.6064 15.6507 6.42772 7.09823 15.9508 8.70621 13.7309 numMergedOcc 0
65 mol 134 unq 5 iso 1 dist 9.71307 9.1998 15.0225 7.09823 15.9508 8.70621 11.6064 15.6507 6.42772 13.7309 numMergedOcc 0
66 mol 167 unq 0 iso 0 dist 9.87651 9.2289 12.0033 4.70068 12.4733 7.68266 10.3445 17.5366 7.6616 6.44246 numMergedOcc 0
67 mol 167 unq 0 iso 1 dist 9.87651 9.2289 12.0033 10.3445 17.5366 7.6616 4.70068 12.4733 7.68266 6.44246 numMergedOcc 0
68 mol 167 unq 1 iso 0 dist 9.87651 7.02548 11.6011 4.70068 12.4733 6.84752 10.3445 17.5366 7.86563 6.44246 numMergedOcc 0
69 mol 167 unq 1 iso 1 dist 9.87651 7.02548 11.6011 10.3445 17.5366 7.86563 4.70068 12.4733 6.84752 6.44246 numMergedOcc 0
70 mol 224 unq 0 iso 0 dist 6.65832 6.99769 5.76843 6.77699 6.60589 8.79428 11.328 9.16166 6.8692 8.49799 numMergedOcc 0
71 mol 224 unq 0 iso 1 dist 6.65832 6.99769 5.76843 11.328 9.16166 6.8692 6.77699 6.60589 8.79428 8.49799 numMergedOcc 0
72 mol 224 unq 1 iso 0 dist 6.57273 8.79428 7.05804 6.77699 10.103 6.99769 8.49799 5.78342 6.8692 11.328 numMergedOcc 0
73 mol 224 unq 1 iso 1 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 6.77699 10.103 6.99769 11.328 numMergedOcc 0
74 mol 224 unq 2 iso 0 dist 6.60589 8.79428 5.76843 6.77699 6.65832 6.99769 8.49799 9.16166 6.8692 11.328 numMergedOcc 0
75 mol 224 unq 2 iso 1 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 6.77699 6.65832 6.99769 11.328 numMergedOcc 0
76 mol 224 unq 3 iso 0 dist 5.78342 6.8692 7.05804 11.328 10.103 6.99769 8.49799 6.57273 8.79428 6.77699 numMergedOcc 0
77 mol 224 unq 3 iso 1 dist 5.78342 6.8692 7.05804 8.49799 6.57273 8.79428 11.328 10.103 6.99769 6.77699 numMergedOcc 0
78 mol 224 unq 4 iso 0 dist 9.16166 6.8692 5.76843 11.328 6.65832 6.99769 8.49799 6.60589 8.79428 6.77699 numMergedOcc 0
79 mol 224 unq 4 iso 1 dist 9.16166 6.8692 5.76843 8.49799 6.60589 8.79428 11.328 6.65832 6.99769 6.77699 numMergedOcc 0
80 mol 224 unq 5 iso 0 dist 5.81334 6.8692 4.54188 11.328 10.9745 6.99769 8.49799 10.5128 8.79428 6.77699 numMergedOcc 0
81 mol 224 unq 5 iso 1 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 11.328 10.9745 6.99769 6.77699 numMergedOcc 0
82 mol 229 unq 0 iso 0 dist 8.22528 7.27993 5.70473 5.1556 11.3979 9.51168 7.0298 11.7165 6.95201 6.54885 numMergedOcc 0
83 mol 229 unq 0 iso 1 dist 8.22528 7.27993 5.70473 7.0298 11.7165 6.95201 5.1556 11.3979 9.51168 6.54885 numMergedOcc 0
84 mol 229 unq 1 iso 0 dist 7.03423 7.27993 7.22525 5.1556 11.9282 9.51168 7.0298 11.4362 6.95201 6.54885 numMergedOcc 0
85 mol 229 unq 1 iso 1 dist 7.03423 7.27993 7.22525 7.0298 11.4362 6.95201 5.1556 11.9282 9.51168 6.54885 numMergedOcc 0
86 mol 229 unq 2 iso 0 dist 9.87838 6.95201 4.61227 7.0298 11.6115 7.27993 6.54885 13.9028 9.51168 5.1556 numMergedOcc 0
87 mol 229 unq 2 iso 1 dist 9.87838 6.95201 4.61227 6.54885 13.9028 9.51168 7.0298 11.6115 7.27993 5.1556 numMergedOcc 0
88 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 11.347 16.5158 9.34438 7.97994 13.7154 9.35949 11.2636 numMergedOcc 0
89 mol 239 unq 0 iso 1 dist 6.16342 6.73665 10.6736 7.97994 13.7154 9.35949 11.347 16.5158 9.34438 11.2636 numMergedOcc 0
90 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 11.8268 21.4606 9.57499 7.08227 16.3537 5.46926 7.69449 numMergedOcc 0
91 mol 277 unq 0 iso 1 dist 9.7748 8.9682 17.6038 7.08227 16.3537 5.46926 11.8268 21.4606 9.57499 7.69449 numMergedOcc 0
