0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.50337 7.16903 10.2774 7.75618 4.96411 9.74255 5.46754 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 6.50337 10.2774 7.16903 7.75618 9.74255 4.96411 5.46754 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 6.50337 7.16903 10.3465 7.75618 4.96411 7.08342 5.46754 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 6.50337 10.3465 7.16903 7.75618 7.08342 4.96411 5.46754 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.4674 4.51865 5.80928 6.10339 9.71584 4.13497 8.40416 9.74255 7.08342 8.6996 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.51865 8.4674 5.80928 6.10339 4.13497 9.71584 8.40416 7.08342 9.74255 8.6996 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 6.50337 10.2774 10.3465 7.75618 9.74255 7.08342 5.46754 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 6.50337 10.3465 10.2774 7.75618 7.08342 9.74255 5.46754 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 6.07553 5.86882 3.96228 8.60554 8.52463 12.3994 11.3314 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 8.38394 8.86116 6.44287 6.07553 3.96228 5.86882 8.60554 12.3994 8.52463 11.3314 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 6.07553 5.86882 3.96228 8.44664 10.971 5.30734 7.262 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 6.07553 3.96228 5.86882 8.44664 5.30734 10.971 7.262 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 6.07553 5.86882 3.96228 9.44691 13.4893 12.505 13.1723 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 8.38394 8.86116 6.44287 6.07553 3.96228 5.86882 9.44691 12.505 13.4893 13.1723 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 6.48457 9.9259 12.2071 8.60554 8.52463 12.3994 3.4435 numMergedOcc 0
15 mol 24 unq 3 iso 1 dist 8.38394 8.86116 6.44287 6.48457 12.2071 9.9259 8.60554 12.3994 8.52463 3.4435 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 6.48457 9.9259 12.2071 8.44664 10.971 5.30734 12.7748 numMergedOcc 0
17 mol 24 unq 4 iso 1 dist 8.38394 8.86116 6.44287 6.48457 12.2071 9.9259 8.44664 5.30734 10.971 12.7748 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 8.86116 8.38394 6.44287 6.48457 9.9259 12.2071 9.44691 13.4893 12.505 7.63657 numMergedOcc 0
19 mol 24 unq 5 iso 1 dist 8.38394 8.86116 6.44287 6.48457 12.2071 9.9259 9.44691 12.505 13.4893 7.63657 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 8.80127 7.6222 11.7026 8.4051 5.11617 13.2229 3.4435 numMergedOcc 0
21 mol 24 unq 6 iso 1 dist 7.36323 5.54419 12.3067 8.80127 11.7026 7.6222 8.4051 13.2229 5.11617 3.4435 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 8.80127 7.6222 11.7026 8.23446 13.1779 6.38336 12.6622 numMergedOcc 0
23 mol 24 unq 7 iso 1 dist 7.36323 5.54419 12.3067 8.80127 11.7026 7.6222 8.23446 6.38336 13.1779 12.6622 numMergedOcc 0
24 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 8.80127 7.6222 11.7026 8.75662 10.8238 6.7828 7.63657 numMergedOcc 0
25 mol 24 unq 8 iso 1 dist 7.36323 5.54419 12.3067 8.80127 11.7026 7.6222 8.75662 6.7828 10.8238 7.63657 numMergedOcc 0
26 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 8.58658 14.436 14.3129 7.21717 15.293 13.86 3.8037 numMergedOcc 0
27 mol 54 unq 0 iso 1 dist 6.83299 9.5589 5.08001 8.58658 14.3129 14.436 7.21717 13.86 15.293 3.8037 numMergedOcc 0
28 mol 54 unq 1 iso 0 dist 9.5589 8.10861 16.3192 8.58658 14.436 7.98156 7.21717 15.293 5.99981 3.8037 numMergedOcc 0
29 mol 54 unq 1 iso 1 dist 8.10861 9.5589 16.3192 8.58658 7.98156 14.436 7.21717 5.99981 15.293 3.8037 numMergedOcc 0
30 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 8.58658 14.3129 7.98156 7.21717 13.86 5.99981 3.8037 numMergedOcc 0
31 mol 54 unq 1 iso 1 dist 8.10861 6.83299 14.2075 8.58658 7.98156 14.3129 7.21717 5.99981 13.86 3.8037 numMergedOcc 0
32 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 4.69674 5.83438 11.8198 9.27838 15.434 11.6378 11.7291 numMergedOcc 0
33 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 4.69674 11.8198 5.83438 9.27838 11.6378 15.434 11.7291 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 8.77199 5.46695 11.3211 9.82915 9.29301 13.5116 4.58085 numMergedOcc 0
35 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 8.77199 11.3211 5.46695 9.82915 13.5116 9.29301 4.58085 numMergedOcc 0
36 mol 85 unq 1 iso 0 dist 7.95579 6.19965 4.26409 8.81824 6.62562 5.46695 7.54568 10.2865 8.09967 13.2941 numMergedOcc 0
37 mol 85 unq 1 iso 1 dist 6.19965 7.95579 4.26409 8.81824 5.46695 6.62562 7.54568 8.09967 10.2865 13.2941 numMergedOcc 0
38 mol 85 unq 2 iso 0 dist 7.95579 7.66905 10.7229 8.81824 6.62562 11.3211 7.54568 10.2865 4.65335 13.2941 numMergedOcc 0
39 mol 85 unq 2 iso 1 dist 7.66905 7.95579 10.7229 8.81824 11.3211 6.62562 7.54568 4.65335 10.2865 13.2941 numMergedOcc 0
40 mol 85 unq 2 iso 0 dist 6.19965 7.66905 6.9948 8.81824 5.46695 11.3211 7.54568 8.09967 4.65335 13.2941 numMergedOcc 0
41 mol 85 unq 2 iso 1 dist 7.66905 6.19965 6.9948 8.81824 11.3211 5.46695 7.54568 4.65335 8.09967 13.2941 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 7.23959 9.73907 12.3578 6.03688 8.15057 12.4957 9.6084 numMergedOcc 0
43 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 7.23959 12.3578 9.73907 6.03688 12.4957 8.15057 9.6084 numMergedOcc 0
44 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 7.23959 9.73907 6.06996 6.03688 8.15057 6.09749 9.6084 numMergedOcc 0
45 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 7.23959 6.06996 9.73907 6.03688 6.09749 8.15057 9.6084 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 7.23959 12.3578 6.06996 6.03688 12.4957 6.09749 9.6084 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 7.23959 6.06996 12.3578 6.03688 6.09749 12.4957 9.6084 numMergedOcc 0
48 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 6.11803 7.25848 8.77621 7.75885 12.7604 6.45859 7.87274 numMergedOcc 0
49 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 6.11803 8.77621 7.25848 7.75885 6.45859 12.7604 7.87274 numMergedOcc 0
50 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 8.36659 6.24593 7.27562 7.67576 10.3151 7.81022 5.5933 numMergedOcc 0
51 mol 222 unq 0 iso 1 dist 7.7699 8.01589 10.4579 8.36659 7.27562 6.24593 7.67576 7.81022 10.3151 5.5933 numMergedOcc 0
52 mol 222 unq 1 iso 0 dist 8.01589 7.7699 10.4579 8.36659 6.24593 7.27562 9.82371 8.52017 15.7504 10.9135 numMergedOcc 0
53 mol 222 unq 1 iso 1 dist 7.7699 8.01589 10.4579 8.36659 7.27562 6.24593 9.82371 15.7504 8.52017 10.9135 numMergedOcc 0
54 mol 222 unq 2 iso 0 dist 8.01589 7.7699 10.4579 9.18913 6.80274 8.72187 7.67576 10.3151 7.81022 13.2849 numMergedOcc 0
55 mol 222 unq 2 iso 1 dist 7.7699 8.01589 10.4579 9.18913 8.72187 6.80274 7.67576 7.81022 10.3151 13.2849 numMergedOcc 0
56 mol 222 unq 3 iso 0 dist 8.01589 7.7699 10.4579 9.18913 6.80274 8.72187 9.82371 8.52017 15.7504 14.5433 numMergedOcc 0
57 mol 222 unq 3 iso 1 dist 7.7699 8.01589 10.4579 9.18913 8.72187 6.80274 9.82371 15.7504 8.52017 14.5433 numMergedOcc 0
58 mol 222 unq 4 iso 0 dist 8.01589 7.21333 13.3522 8.36659 6.24593 10.367 7.67576 10.3151 7.75656 5.5933 numMergedOcc 0
59 mol 222 unq 4 iso 1 dist 7.21333 8.01589 13.3522 8.36659 10.367 6.24593 7.67576 7.75656 10.3151 5.5933 numMergedOcc 0
60 mol 222 unq 5 iso 0 dist 8.01589 7.21333 13.3522 8.36659 6.24593 10.367 9.82371 8.52017 16.0949 10.9135 numMergedOcc 0
61 mol 222 unq 5 iso 1 dist 7.21333 8.01589 13.3522 8.36659 10.367 6.24593 9.82371 16.0949 8.52017 10.9135 numMergedOcc 0
62 mol 222 unq 6 iso 0 dist 8.01589 7.21333 13.3522 9.18913 6.80274 12.4303 7.67576 10.3151 7.75656 13.2849 numMergedOcc 0
63 mol 222 unq 6 iso 1 dist 7.21333 8.01589 13.3522 9.18913 12.4303 6.80274 7.67576 7.75656 10.3151 13.2849 numMergedOcc 0
64 mol 222 unq 7 iso 0 dist 8.01589 7.21333 13.3522 9.18913 6.80274 12.4303 9.82371 8.52017 16.0949 14.5433 numMergedOcc 0
65 mol 222 unq 7 iso 1 dist 7.21333 8.01589 13.3522 9.18913 12.4303 6.80274 9.82371 16.0949 8.52017 14.5433 numMergedOcc 0
66 mol 222 unq 4 iso 0 dist 7.7699 7.21333 5.24516 8.36659 7.27562 10.367 7.67576 7.81022 7.75656 5.5933 numMergedOcc 0
67 mol 222 unq 4 iso 1 dist 7.21333 7.7699 5.24516 8.36659 10.367 7.27562 7.67576 7.75656 7.81022 5.5933 numMergedOcc 0
68 mol 222 unq 5 iso 0 dist 7.7699 7.21333 5.24516 8.36659 7.27562 10.367 9.82371 15.7504 16.0949 10.9135 numMergedOcc 0
69 mol 222 unq 5 iso 1 dist 7.21333 7.7699 5.24516 8.36659 10.367 7.27562 9.82371 16.0949 15.7504 10.9135 numMergedOcc 0
70 mol 222 unq 6 iso 0 dist 7.7699 7.21333 5.24516 9.18913 8.72187 12.4303 7.67576 7.81022 7.75656 13.2849 numMergedOcc 0
71 mol 222 unq 6 iso 1 dist 7.21333 7.7699 5.24516 9.18913 12.4303 8.72187 7.67576 7.75656 7.81022 13.2849 numMergedOcc 0
72 mol 222 unq 7 iso 0 dist 7.7699 7.21333 5.24516 9.18913 8.72187 12.4303 9.82371 15.7504 16.0949 14.5433 numMergedOcc 0
73 mol 222 unq 7 iso 1 dist 7.21333 7.7699 5.24516 9.18913 12.4303 8.72187 9.82371 16.0949 15.7504 14.5433 numMergedOcc 0
74 mol 234 unq 0 iso 0 dist 8.41436 8.92474 8.62358 9.18589 10.3659 10.4355 6.30154 7.44558 10.9712 14.0878 numMergedOcc 0
75 mol 234 unq 0 iso 1 dist 8.92474 8.41436 8.62358 9.18589 10.4355 10.3659 6.30154 10.9712 7.44558 14.0878 numMergedOcc 0
76 mol 234 unq 1 iso 0 dist 8.41436 8.92474 8.62358 9.18589 10.3659 10.4355 7.32499 10.7902 4.4288 11.7131 numMergedOcc 0
77 mol 234 unq 1 iso 1 dist 8.92474 8.41436 8.62358 9.18589 10.4355 10.3659 7.32499 4.4288 10.7902 11.7131 numMergedOcc 0
78 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 8.98154 8.93097 6.55065 9.85289 6.20558 11.4459 10.4158 numMergedOcc 0
79 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 8.98154 6.55065 8.93097 9.85289 11.4459 6.20558 10.4158 numMergedOcc 0
