0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.864 7.07775 5.80928 6.50337 7.16903 10.2774 10.3465 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 6.50337 7.16903 10.3465 10.2774 numMergedOcc 0
2 mol 19 unq 0 iso 2 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 6.50337 10.2774 7.16903 10.3465 numMergedOcc 0
3 mol 19 unq 0 iso 3 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 6.50337 10.2774 10.3465 7.16903 numMergedOcc 0
4 mol 19 unq 0 iso 4 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 6.50337 10.3465 7.16903 10.2774 numMergedOcc 0
5 mol 19 unq 0 iso 5 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 6.50337 10.3465 10.2774 7.16903 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.93915 5.89973 6.45462 9.07906 8.42544 6.09486 4.40385 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 5.73819 8.93915 5.89973 6.20293 5.06502 6.45462 9.07906 8.42544 4.40385 6.09486 numMergedOcc 0
8 mol 43 unq 0 iso 2 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 9.07906 6.09486 8.42544 4.40385 numMergedOcc 0
9 mol 43 unq 0 iso 3 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 9.07906 6.09486 4.40385 8.42544 numMergedOcc 0
10 mol 43 unq 0 iso 4 dist 8.93915 5.73819 5.89973 6.20293 6.45462 5.06502 9.07906 4.40385 8.42544 6.09486 numMergedOcc 0
11 mol 43 unq 0 iso 5 dist 8.93915 6.20293 6.45462 5.73819 5.89973 5.06502 9.07906 4.40385 6.09486 8.42544 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 8.10861 16.3192 14.2075 8.58658 14.436 14.3129 7.98156 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 9.5589 8.10861 16.3192 6.83299 5.08001 14.2075 8.58658 14.436 7.98156 14.3129 numMergedOcc 0
14 mol 54 unq 0 iso 2 dist 6.83299 9.5589 5.08001 8.10861 14.2075 16.3192 8.58658 14.3129 14.436 7.98156 numMergedOcc 0
15 mol 54 unq 0 iso 3 dist 6.83299 8.10861 14.2075 9.5589 5.08001 16.3192 8.58658 14.3129 7.98156 14.436 numMergedOcc 0
16 mol 54 unq 0 iso 4 dist 8.10861 9.5589 16.3192 6.83299 14.2075 5.08001 8.58658 7.98156 14.436 14.3129 numMergedOcc 0
17 mol 54 unq 0 iso 5 dist 8.10861 6.83299 14.2075 9.5589 16.3192 5.08001 8.58658 7.98156 14.3129 14.436 numMergedOcc 0
18 mol 60 unq 0 iso 0 dist 8.33063 6.43294 10.1562 8.7531 7.29309 5.67502 8.43677 4.15294 8.04342 6.10251 numMergedOcc 0
19 mol 60 unq 0 iso 1 dist 8.33063 8.7531 7.29309 6.43294 10.1562 5.67502 8.43677 4.15294 6.10251 8.04342 numMergedOcc 0
20 mol 60 unq 0 iso 2 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 8.43677 8.04342 4.15294 6.10251 numMergedOcc 0
21 mol 60 unq 0 iso 3 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 8.43677 8.04342 6.10251 4.15294 numMergedOcc 0
22 mol 60 unq 0 iso 4 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 8.43677 6.10251 4.15294 8.04342 numMergedOcc 0
23 mol 60 unq 0 iso 5 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 8.43677 6.10251 8.04342 4.15294 numMergedOcc 0
24 mol 60 unq 1 iso 0 dist 8.33063 6.43294 10.1562 8.7531 7.29309 5.67502 7.77255 9.10809 4.32336 6.67875 numMergedOcc 0
25 mol 60 unq 1 iso 1 dist 8.33063 8.7531 7.29309 6.43294 10.1562 5.67502 7.77255 9.10809 6.67875 4.32336 numMergedOcc 0
26 mol 60 unq 1 iso 2 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 7.77255 4.32336 9.10809 6.67875 numMergedOcc 0
27 mol 60 unq 1 iso 3 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 7.77255 4.32336 6.67875 9.10809 numMergedOcc 0
28 mol 60 unq 1 iso 4 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 7.77255 6.67875 9.10809 4.32336 numMergedOcc 0
29 mol 60 unq 1 iso 5 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 7.77255 6.67875 4.32336 9.10809 numMergedOcc 0
30 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.66905 10.7229 6.9948 8.81824 6.62562 5.46695 11.3211 numMergedOcc 0
31 mol 85 unq 0 iso 1 dist 7.95579 7.66905 10.7229 6.19965 4.26409 6.9948 8.81824 6.62562 11.3211 5.46695 numMergedOcc 0
32 mol 85 unq 0 iso 2 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 8.81824 5.46695 6.62562 11.3211 numMergedOcc 0
33 mol 85 unq 0 iso 3 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 8.81824 5.46695 11.3211 6.62562 numMergedOcc 0
34 mol 85 unq 0 iso 4 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 8.81824 11.3211 6.62562 5.46695 numMergedOcc 0
35 mol 85 unq 0 iso 5 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 8.81824 11.3211 5.46695 6.62562 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 8.86966 8.18329 5.97115 4.36394 numMergedOcc 0
37 mol 152 unq 0 iso 1 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 8.86966 8.18329 4.36394 5.97115 numMergedOcc 0
38 mol 152 unq 0 iso 2 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 8.86966 5.97115 8.18329 4.36394 numMergedOcc 0
39 mol 152 unq 0 iso 3 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 8.86966 5.97115 4.36394 8.18329 numMergedOcc 0
40 mol 152 unq 0 iso 4 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 8.86966 4.36394 8.18329 5.97115 numMergedOcc 0
41 mol 152 unq 0 iso 5 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 8.86966 4.36394 5.97115 8.18329 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 8.87437 7.16148 5.42328 8.05741 5.54906 6.4896 5.7527 8.18329 5.97115 4.36394 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 8.87437 8.05741 5.54906 7.16148 5.42328 6.4896 5.7527 8.18329 4.36394 5.97115 numMergedOcc 0
44 mol 152 unq 1 iso 2 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 5.7527 5.97115 8.18329 4.36394 numMergedOcc 0
45 mol 152 unq 1 iso 3 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 5.7527 5.97115 4.36394 8.18329 numMergedOcc 0
46 mol 152 unq 1 iso 4 dist 8.05741 8.87437 5.54906 7.16148 6.4896 5.42328 5.7527 4.36394 8.18329 5.97115 numMergedOcc 0
47 mol 152 unq 1 iso 5 dist 8.05741 7.16148 6.4896 8.87437 5.54906 5.42328 5.7527 4.36394 5.97115 8.18329 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 8.87694 14.9058 5.74635 9.83935 13.3944 4.527 9.6018 numMergedOcc 0
49 mol 186 unq 0 iso 1 dist 9.70748 8.87694 14.9058 7.54065 13.8792 5.74635 9.83935 13.3944 9.6018 4.527 numMergedOcc 0
50 mol 186 unq 0 iso 2 dist 7.54065 9.70748 13.8792 8.87694 5.74635 14.9058 9.83935 4.527 13.3944 9.6018 numMergedOcc 0
51 mol 186 unq 0 iso 3 dist 7.54065 8.87694 5.74635 9.70748 13.8792 14.9058 9.83935 4.527 9.6018 13.3944 numMergedOcc 0
52 mol 186 unq 0 iso 4 dist 8.87694 9.70748 14.9058 7.54065 5.74635 13.8792 9.83935 9.6018 13.3944 4.527 numMergedOcc 0
53 mol 186 unq 0 iso 5 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 9.83935 9.6018 4.527 13.3944 numMergedOcc 0
54 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 7.80463 8.18714 13.8543 7.23959 9.73907 12.3578 6.06996 numMergedOcc 0
55 mol 205 unq 0 iso 1 dist 6.03031 7.80463 8.18714 7.26832 7.38516 13.8543 7.23959 9.73907 6.06996 12.3578 numMergedOcc 0
56 mol 205 unq 0 iso 2 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 7.23959 12.3578 9.73907 6.06996 numMergedOcc 0
57 mol 205 unq 0 iso 3 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 7.23959 12.3578 6.06996 9.73907 numMergedOcc 0
58 mol 205 unq 0 iso 4 dist 7.80463 6.03031 8.18714 7.26832 13.8543 7.38516 7.23959 6.06996 9.73907 12.3578 numMergedOcc 0
59 mol 205 unq 0 iso 5 dist 7.80463 7.26832 13.8543 6.03031 8.18714 7.38516 7.23959 6.06996 12.3578 9.73907 numMergedOcc 0
60 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 7.21333 13.3522 5.24516 8.36659 6.24593 7.27562 10.367 numMergedOcc 0
61 mol 222 unq 0 iso 1 dist 8.01589 7.21333 13.3522 7.7699 10.4579 5.24516 8.36659 6.24593 10.367 7.27562 numMergedOcc 0
62 mol 222 unq 0 iso 2 dist 7.7699 8.01589 10.4579 7.21333 5.24516 13.3522 8.36659 7.27562 6.24593 10.367 numMergedOcc 0
63 mol 222 unq 0 iso 3 dist 7.7699 7.21333 5.24516 8.01589 10.4579 13.3522 8.36659 7.27562 10.367 6.24593 numMergedOcc 0
64 mol 222 unq 0 iso 4 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 8.36659 10.367 6.24593 7.27562 numMergedOcc 0
65 mol 222 unq 0 iso 5 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 8.36659 10.367 7.27562 6.24593 numMergedOcc 0
66 mol 222 unq 1 iso 0 dist 8.01589 7.7699 10.4579 7.21333 13.3522 5.24516 9.18913 6.80274 8.72187 12.4303 numMergedOcc 0
67 mol 222 unq 1 iso 1 dist 8.01589 7.21333 13.3522 7.7699 10.4579 5.24516 9.18913 6.80274 12.4303 8.72187 numMergedOcc 0
68 mol 222 unq 1 iso 2 dist 7.7699 8.01589 10.4579 7.21333 5.24516 13.3522 9.18913 8.72187 6.80274 12.4303 numMergedOcc 0
69 mol 222 unq 1 iso 3 dist 7.7699 7.21333 5.24516 8.01589 10.4579 13.3522 9.18913 8.72187 12.4303 6.80274 numMergedOcc 0
70 mol 222 unq 1 iso 4 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 9.18913 12.4303 6.80274 8.72187 numMergedOcc 0
71 mol 222 unq 1 iso 5 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 9.18913 12.4303 8.72187 6.80274 numMergedOcc 0
72 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 6.38733 12.9824 9.78504 3.6688 numMergedOcc 0
73 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.38733 12.9824 3.6688 9.78504 numMergedOcc 0
74 mol 252 unq 0 iso 2 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 6.38733 9.78504 12.9824 3.6688 numMergedOcc 0
75 mol 252 unq 0 iso 3 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 6.38733 9.78504 3.6688 12.9824 numMergedOcc 0
76 mol 252 unq 0 iso 4 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 6.38733 3.6688 12.9824 9.78504 numMergedOcc 0
77 mol 252 unq 0 iso 5 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 6.38733 3.6688 9.78504 12.9824 numMergedOcc 0
78 mol 252 unq 1 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 9.64349 15.2956 11.8272 6.57801 numMergedOcc 0
79 mol 252 unq 1 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 9.64349 15.2956 6.57801 11.8272 numMergedOcc 0
80 mol 252 unq 1 iso 2 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 9.64349 11.8272 15.2956 6.57801 numMergedOcc 0
81 mol 252 unq 1 iso 3 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 9.64349 11.8272 6.57801 15.2956 numMergedOcc 0
82 mol 252 unq 1 iso 4 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 9.64349 6.57801 15.2956 11.8272 numMergedOcc 0
83 mol 252 unq 1 iso 5 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 9.64349 6.57801 11.8272 15.2956 numMergedOcc 0
