0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.50337 7.16903 10.2774 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 6.50337 10.2774 7.16903 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 6.50337 7.16903 10.3465 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 6.50337 10.3465 7.16903 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.4674 4.51865 5.80928 6.10339 9.71584 4.13497 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.51865 8.4674 5.80928 6.10339 4.13497 9.71584 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 6.50337 10.2774 10.3465 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 6.50337 10.3465 10.2774 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 6.07553 5.86882 3.96228 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 8.38394 8.86116 6.44287 6.07553 3.96228 5.86882 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 6.48457 9.9259 12.2071 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 6.48457 12.2071 9.9259 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 8.80127 7.6222 11.7026 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 7.36323 5.54419 12.3067 8.80127 11.7026 7.6222 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 9.07906 8.42544 6.09486 numMergedOcc 0
15 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 9.07906 6.09486 8.42544 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 9.07906 8.42544 4.40385 numMergedOcc 0
17 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 9.07906 4.40385 8.42544 numMergedOcc 0
18 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 9.07906 6.09486 4.40385 numMergedOcc 0
19 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 9.07906 4.40385 6.09486 numMergedOcc 0
20 mol 45 unq 0 iso 0 dist 6.43774 7.2846 5.24762 7.742 4.11544 4.91588 numMergedOcc 0
21 mol 45 unq 0 iso 1 dist 7.2846 6.43774 5.24762 7.742 4.91588 4.11544 numMergedOcc 0
22 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 8.58658 14.436 14.3129 numMergedOcc 0
23 mol 54 unq 0 iso 1 dist 6.83299 9.5589 5.08001 8.58658 14.3129 14.436 numMergedOcc 0
24 mol 54 unq 1 iso 0 dist 9.5589 8.10861 16.3192 8.58658 14.436 7.98156 numMergedOcc 0
25 mol 54 unq 1 iso 1 dist 8.10861 9.5589 16.3192 8.58658 7.98156 14.436 numMergedOcc 0
26 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 8.58658 14.3129 7.98156 numMergedOcc 0
27 mol 54 unq 1 iso 1 dist 8.10861 6.83299 14.2075 8.58658 7.98156 14.3129 numMergedOcc 0
28 mol 60 unq 0 iso 0 dist 8.33063 6.43294 10.1562 8.43677 4.15294 8.04342 numMergedOcc 0
29 mol 60 unq 0 iso 1 dist 6.43294 8.33063 10.1562 8.43677 8.04342 4.15294 numMergedOcc 0
30 mol 60 unq 1 iso 0 dist 8.33063 6.43294 10.1562 7.77255 9.10809 4.32336 numMergedOcc 0
31 mol 60 unq 1 iso 1 dist 6.43294 8.33063 10.1562 7.77255 4.32336 9.10809 numMergedOcc 0
32 mol 60 unq 2 iso 0 dist 8.33063 8.7531 7.29309 8.43677 4.15294 6.10251 numMergedOcc 0
33 mol 60 unq 2 iso 1 dist 8.7531 8.33063 7.29309 8.43677 6.10251 4.15294 numMergedOcc 0
34 mol 60 unq 3 iso 0 dist 8.33063 8.7531 7.29309 7.77255 9.10809 6.67875 numMergedOcc 0
35 mol 60 unq 3 iso 1 dist 8.7531 8.33063 7.29309 7.77255 6.67875 9.10809 numMergedOcc 0
36 mol 60 unq 2 iso 0 dist 6.43294 8.7531 5.67502 8.43677 8.04342 6.10251 numMergedOcc 0
37 mol 60 unq 2 iso 1 dist 8.7531 6.43294 5.67502 8.43677 6.10251 8.04342 numMergedOcc 0
38 mol 60 unq 3 iso 0 dist 6.43294 8.7531 5.67502 7.77255 4.32336 6.67875 numMergedOcc 0
39 mol 60 unq 3 iso 1 dist 8.7531 6.43294 5.67502 7.77255 6.67875 4.32336 numMergedOcc 0
40 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 4.69674 5.83438 11.8198 numMergedOcc 0
41 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 4.69674 11.8198 5.83438 numMergedOcc 0
42 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 8.77199 5.46695 11.3211 numMergedOcc 0
43 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 8.77199 11.3211 5.46695 numMergedOcc 0
44 mol 85 unq 1 iso 0 dist 7.95579 6.19965 4.26409 8.81824 6.62562 5.46695 numMergedOcc 0
45 mol 85 unq 1 iso 1 dist 6.19965 7.95579 4.26409 8.81824 5.46695 6.62562 numMergedOcc 0
46 mol 85 unq 2 iso 0 dist 7.95579 7.66905 10.7229 8.81824 6.62562 11.3211 numMergedOcc 0
47 mol 85 unq 2 iso 1 dist 7.66905 7.95579 10.7229 8.81824 11.3211 6.62562 numMergedOcc 0
48 mol 85 unq 2 iso 0 dist 6.19965 7.66905 6.9948 8.81824 5.46695 11.3211 numMergedOcc 0
49 mol 85 unq 2 iso 1 dist 7.66905 6.19965 6.9948 8.81824 11.3211 5.46695 numMergedOcc 0
50 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 9.54952 11.9839 10.6664 numMergedOcc 0
51 mol 88 unq 0 iso 1 dist 8.31336 9.36773 5.57085 9.54952 10.6664 11.9839 numMergedOcc 0
52 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 8.82676 6.3084 12.4721 numMergedOcc 0
53 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 8.82676 12.4721 6.3084 numMergedOcc 0
54 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.86966 8.18329 5.97115 numMergedOcc 0
55 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 8.86966 5.97115 8.18329 numMergedOcc 0
56 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.86966 8.18329 4.36394 numMergedOcc 0
57 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 8.86966 4.36394 8.18329 numMergedOcc 0
58 mol 152 unq 2 iso 0 dist 8.87437 7.16148 5.42328 5.7527 8.18329 5.97115 numMergedOcc 0
59 mol 152 unq 2 iso 1 dist 7.16148 8.87437 5.42328 5.7527 5.97115 8.18329 numMergedOcc 0
60 mol 152 unq 3 iso 0 dist 8.87437 8.05741 5.54906 5.7527 8.18329 4.36394 numMergedOcc 0
61 mol 152 unq 3 iso 1 dist 8.05741 8.87437 5.54906 5.7527 4.36394 8.18329 numMergedOcc 0
62 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 8.86966 5.97115 4.36394 numMergedOcc 0
63 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 8.86966 4.36394 5.97115 numMergedOcc 0
64 mol 152 unq 3 iso 0 dist 7.16148 8.05741 6.4896 5.7527 5.97115 4.36394 numMergedOcc 0
65 mol 152 unq 3 iso 1 dist 8.05741 7.16148 6.4896 5.7527 4.36394 5.97115 numMergedOcc 0
66 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 9.83935 13.3944 4.527 numMergedOcc 0
67 mol 186 unq 0 iso 1 dist 7.54065 9.70748 13.8792 9.83935 4.527 13.3944 numMergedOcc 0
68 mol 186 unq 1 iso 0 dist 9.70748 8.87694 14.9058 9.83935 13.3944 9.6018 numMergedOcc 0
69 mol 186 unq 1 iso 1 dist 8.87694 9.70748 14.9058 9.83935 9.6018 13.3944 numMergedOcc 0
70 mol 186 unq 1 iso 0 dist 7.54065 8.87694 5.74635 9.83935 4.527 9.6018 numMergedOcc 0
71 mol 186 unq 1 iso 1 dist 8.87694 7.54065 5.74635 9.83935 9.6018 4.527 numMergedOcc 0
72 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 7.23959 9.73907 12.3578 numMergedOcc 0
73 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 7.23959 12.3578 9.73907 numMergedOcc 0
74 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 7.23959 9.73907 6.06996 numMergedOcc 0
75 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 7.23959 6.06996 9.73907 numMergedOcc 0
76 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 7.23959 12.3578 6.06996 numMergedOcc 0
77 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 7.23959 6.06996 12.3578 numMergedOcc 0
78 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 6.11803 7.25848 8.77621 numMergedOcc 0
79 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 6.11803 8.77621 7.25848 numMergedOcc 0
80 mol 220 unq 0 iso 0 dist 9.23153 8.24498 10.5449 4.96654 13.231 7.35133 numMergedOcc 0
81 mol 220 unq 0 iso 1 dist 8.24498 9.23153 10.5449 4.96654 7.35133 13.231 numMergedOcc 0
82 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 8.36659 6.24593 7.27562 numMergedOcc 0
83 mol 222 unq 0 iso 1 dist 7.7699 8.01589 10.4579 8.36659 7.27562 6.24593 numMergedOcc 0
84 mol 222 unq 1 iso 0 dist 8.01589 7.7699 10.4579 9.18913 6.80274 8.72187 numMergedOcc 0
85 mol 222 unq 1 iso 1 dist 7.7699 8.01589 10.4579 9.18913 8.72187 6.80274 numMergedOcc 0
86 mol 222 unq 2 iso 0 dist 8.01589 7.21333 13.3522 8.36659 6.24593 10.367 numMergedOcc 0
87 mol 222 unq 2 iso 1 dist 7.21333 8.01589 13.3522 8.36659 10.367 6.24593 numMergedOcc 0
88 mol 222 unq 3 iso 0 dist 8.01589 7.21333 13.3522 9.18913 6.80274 12.4303 numMergedOcc 0
89 mol 222 unq 3 iso 1 dist 7.21333 8.01589 13.3522 9.18913 12.4303 6.80274 numMergedOcc 0
90 mol 222 unq 2 iso 0 dist 7.7699 7.21333 5.24516 8.36659 7.27562 10.367 numMergedOcc 0
91 mol 222 unq 2 iso 1 dist 7.21333 7.7699 5.24516 8.36659 10.367 7.27562 numMergedOcc 0
92 mol 222 unq 3 iso 0 dist 7.7699 7.21333 5.24516 9.18913 8.72187 12.4303 numMergedOcc 0
93 mol 222 unq 3 iso 1 dist 7.21333 7.7699 5.24516 9.18913 12.4303 8.72187 numMergedOcc 0
94 mol 234 unq 0 iso 0 dist 8.41436 8.92474 8.62358 9.18589 10.3659 10.4355 numMergedOcc 0
95 mol 234 unq 0 iso 1 dist 8.92474 8.41436 8.62358 9.18589 10.4355 10.3659 numMergedOcc 0
96 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 6.38733 12.9824 9.78504 numMergedOcc 0
97 mol 252 unq 0 iso 1 dist 9.2288 8.33025 8.41807 6.38733 9.78504 12.9824 numMergedOcc 0
98 mol 252 unq 1 iso 0 dist 8.33025 9.2288 8.41807 9.64349 15.2956 11.8272 numMergedOcc 0
99 mol 252 unq 1 iso 1 dist 9.2288 8.33025 8.41807 9.64349 11.8272 15.2956 numMergedOcc 0
100 mol 252 unq 2 iso 0 dist 8.33025 7.19638 14.9102 6.38733 12.9824 3.6688 numMergedOcc 0
101 mol 252 unq 2 iso 1 dist 7.19638 8.33025 14.9102 6.38733 3.6688 12.9824 numMergedOcc 0
102 mol 252 unq 3 iso 0 dist 8.33025 7.19638 14.9102 9.64349 15.2956 6.57801 numMergedOcc 0
103 mol 252 unq 3 iso 1 dist 7.19638 8.33025 14.9102 9.64349 6.57801 15.2956 numMergedOcc 0
104 mol 252 unq 2 iso 0 dist 9.2288 7.19638 11.7918 6.38733 9.78504 3.6688 numMergedOcc 0
105 mol 252 unq 2 iso 1 dist 7.19638 9.2288 11.7918 6.38733 3.6688 9.78504 numMergedOcc 0
106 mol 252 unq 3 iso 0 dist 9.2288 7.19638 11.7918 9.64349 11.8272 6.57801 numMergedOcc 0
107 mol 252 unq 3 iso 1 dist 7.19638 9.2288 11.7918 9.64349 6.57801 11.8272 numMergedOcc 0
108 mol 253 unq 0 iso 0 dist 7.32223 8.31064 7.25988 9.29422 3.87128 10.8347 numMergedOcc 0
109 mol 253 unq 0 iso 1 dist 8.31064 7.32223 7.25988 9.29422 10.8347 3.87128 numMergedOcc 0
110 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 8.98154 8.93097 6.55065 numMergedOcc 0
111 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 8.98154 6.55065 8.93097 numMergedOcc 0
