0 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.10339 9.71584 4.13497 7.67038 4.54938 6.864 10.8897 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 6.10339 9.71584 4.13497 10.3915 7.82074 11.0366 14.9801 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 6.50337 10.2774 7.16903 7.67038 8.4674 10.4091 10.7864 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 6.50337 10.2774 7.16903 5.03957 7.82074 12.1187 9.57968 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 6.50337 10.2774 10.3465 7.67038 8.4674 4.51865 10.7864 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 4.54938 6.864 5.80928 6.50337 10.2774 10.3465 5.03957 7.82074 11.0366 9.57968 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 4.51865 8.4674 5.80928 6.10339 4.13497 9.71584 7.67038 6.864 4.54938 10.8897 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 6.864 7.20519 7.07775 6.50337 10.3465 7.16903 7.67038 4.51865 10.4091 10.7864 numMergedOcc 0
8 mol 19 unq 8 iso 0 dist 6.864 4.54938 5.80928 6.50337 10.3465 10.2774 7.67038 4.51865 8.4674 10.7864 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 6.07553 5.86882 3.96228 10.0952 6.86014 12.5077 10.0889 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 6.48457 9.9259 12.2071 10.0952 6.86014 12.5077 9.11809 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 9.07906 6.09486 8.42544 8.13395 8.80331 10.5523 14.1869 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 9.07906 6.09486 4.40385 8.13395 8.80331 14.7803 14.1869 numMergedOcc 0
13 mol 45 unq 0 iso 0 dist 7.2846 6.43774 5.24762 7.742 4.91588 4.11544 8.81358 7.58835 11.2563 11.975 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 6.43294 8.33063 10.1562 8.43677 8.04342 4.15294 10.6819 6.65595 16.4714 14.6989 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 6.43294 8.33063 10.1562 8.43677 8.04342 4.15294 11.3621 9.25011 17.3965 16.7028 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 6.43294 8.33063 10.1562 8.43677 8.04342 4.15294 5.51199 8.52121 13.1051 13.4491 numMergedOcc 0
17 mol 60 unq 3 iso 0 dist 6.43294 8.33063 10.1562 7.77255 4.32336 9.10809 10.6819 6.65595 16.4714 10.3081 numMergedOcc 0
18 mol 60 unq 4 iso 0 dist 6.43294 8.33063 10.1562 7.77255 4.32336 9.10809 11.3621 9.25011 17.3965 13.4885 numMergedOcc 0
19 mol 60 unq 5 iso 0 dist 6.43294 8.33063 10.1562 7.77255 4.32336 9.10809 5.51199 8.52121 13.1051 11.6961 numMergedOcc 0
20 mol 60 unq 6 iso 0 dist 6.43294 8.7531 5.67502 8.43677 8.04342 6.10251 10.6819 6.65595 11.1899 14.6989 numMergedOcc 0
21 mol 60 unq 7 iso 0 dist 6.43294 8.7531 5.67502 8.43677 8.04342 6.10251 11.3621 9.25011 12.4656 16.7028 numMergedOcc 0
22 mol 60 unq 8 iso 0 dist 6.43294 8.7531 5.67502 8.43677 8.04342 6.10251 5.51199 8.52121 11.6311 13.4491 numMergedOcc 0
23 mol 60 unq 9 iso 0 dist 6.43294 8.7531 5.67502 7.77255 4.32336 6.67875 10.6819 6.65595 11.1899 10.3081 numMergedOcc 0
24 mol 60 unq 10 iso 0 dist 6.43294 8.7531 5.67502 7.77255 4.32336 6.67875 11.3621 9.25011 12.4656 13.4885 numMergedOcc 0
25 mol 60 unq 11 iso 0 dist 6.43294 8.7531 5.67502 7.77255 4.32336 6.67875 5.51199 8.52121 11.6311 11.6961 numMergedOcc 0
26 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 4.69674 11.8198 5.83438 8.24309 9.78528 9.84449 10.2718 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 8.77199 5.46695 11.3211 5.42586 6.19965 7.66905 8.81824 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 7.47541 7.97049 6.9948 8.77199 11.3211 5.46695 5.42586 7.66905 6.19965 8.81824 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 7.47541 7.97049 6.9948 8.77199 11.3211 5.46695 6.87425 5.73196 11.2656 13.821 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 6.19965 7.95579 4.26409 8.81824 5.46695 6.62562 5.42586 7.97049 11.3023 8.77199 numMergedOcc 0
31 mol 85 unq 4 iso 0 dist 6.19965 7.66905 6.9948 8.81824 5.46695 11.3211 5.42586 7.97049 7.47541 8.77199 numMergedOcc 0
32 mol 85 unq 5 iso 0 dist 7.66905 7.95579 10.7229 8.81824 11.3211 6.62562 5.42586 7.47541 11.3023 8.77199 numMergedOcc 0
33 mol 85 unq 6 iso 0 dist 7.66905 7.95579 10.7229 8.81824 11.3211 6.62562 10.1164 5.73196 15.309 13.821 numMergedOcc 0
34 mol 85 unq 7 iso 0 dist 7.66905 6.19965 6.9948 8.81824 11.3211 5.46695 5.42586 7.47541 7.97049 8.77199 numMergedOcc 0
35 mol 85 unq 8 iso 0 dist 7.66905 6.19965 6.9948 8.81824 11.3211 5.46695 10.1164 5.73196 11.2656 13.821 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.86966 8.18329 5.97115 5.49936 8.87437 7.16148 5.7527 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.86966 8.18329 4.36394 5.49936 8.87437 8.05741 5.7527 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 8.87437 7.16148 5.42328 5.7527 8.18329 5.97115 5.49936 5.87555 6.70283 8.86966 numMergedOcc 0
39 mol 152 unq 3 iso 0 dist 8.87437 8.05741 5.54906 5.7527 8.18329 4.36394 5.49936 5.87555 8.67331 8.86966 numMergedOcc 0
40 mol 152 unq 4 iso 0 dist 6.70283 5.87555 5.42328 8.86966 5.97115 8.18329 7.65448 8.56324 10.399 13.4958 numMergedOcc 0
41 mol 152 unq 5 iso 0 dist 6.70283 5.87555 5.42328 8.86966 5.97115 8.18329 5.49936 7.16148 8.87437 5.7527 numMergedOcc 0
42 mol 152 unq 6 iso 0 dist 6.70283 8.67331 6.4896 8.86966 5.97115 4.36394 7.65448 8.56324 14.1618 13.4958 numMergedOcc 0
43 mol 152 unq 7 iso 0 dist 6.70283 8.67331 6.4896 8.86966 5.97115 4.36394 5.49936 7.16148 8.05741 5.7527 numMergedOcc 0
44 mol 152 unq 8 iso 0 dist 7.16148 8.87437 5.42328 5.7527 5.97115 8.18329 10.6875 8.56324 10.399 13.4958 numMergedOcc 0
45 mol 152 unq 9 iso 0 dist 7.16148 8.87437 5.42328 5.7527 5.97115 8.18329 5.49936 6.70283 5.87555 8.86966 numMergedOcc 0
46 mol 152 unq 10 iso 0 dist 7.16148 8.05741 6.4896 5.7527 5.97115 4.36394 10.6875 8.56324 14.1618 13.4958 numMergedOcc 0
47 mol 152 unq 11 iso 0 dist 7.16148 8.05741 6.4896 5.7527 5.97115 4.36394 5.49936 6.70283 8.67331 8.86966 numMergedOcc 0
48 mol 152 unq 12 iso 0 dist 8.67331 5.87555 5.54906 8.86966 4.36394 8.18329 5.49936 8.05741 8.87437 5.7527 numMergedOcc 0
49 mol 152 unq 13 iso 0 dist 8.67331 6.70283 6.4896 8.86966 4.36394 5.97115 5.49936 8.05741 7.16148 5.7527 numMergedOcc 0
50 mol 152 unq 14 iso 0 dist 8.05741 8.87437 5.54906 5.7527 4.36394 8.18329 5.49936 8.67331 5.87555 8.86966 numMergedOcc 0
51 mol 152 unq 15 iso 0 dist 8.05741 7.16148 6.4896 5.7527 4.36394 5.97115 5.49936 8.67331 6.70283 8.86966 numMergedOcc 0
52 mol 186 unq 0 iso 0 dist 8.87694 9.70748 14.9058 9.83935 9.6018 13.3944 9.50685 9.09754 18.6929 15.1388 numMergedOcc 0
53 mol 186 unq 1 iso 0 dist 8.87694 7.54065 5.74635 9.83935 9.6018 4.527 9.50685 9.09754 10.7914 15.1388 numMergedOcc 0
54 mol 206 unq 0 iso 0 dist 9.774 8.02137 10.4 6.11803 8.77621 7.25848 5.63422 7.7366 11.1804 9.73419 numMergedOcc 0
55 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 6.38733 12.9824 9.78504 6.0987 8.1148 8.1715 10.5963 numMergedOcc 0
56 mol 252 unq 1 iso 0 dist 8.33025 9.2288 8.41807 9.64349 15.2956 11.8272 6.0987 8.1148 8.1715 14.1962 numMergedOcc 0
57 mol 252 unq 2 iso 0 dist 8.33025 7.19638 14.9102 6.38733 12.9824 3.6688 6.0987 8.1148 10.5136 10.5963 numMergedOcc 0
58 mol 252 unq 3 iso 0 dist 8.33025 7.19638 14.9102 9.64349 15.2956 6.57801 6.0987 8.1148 10.5136 14.1962 numMergedOcc 0
59 mol 252 unq 4 iso 0 dist 9.2288 8.33025 8.41807 6.38733 9.78504 12.9824 6.0987 8.1715 8.1148 10.5963 numMergedOcc 0
60 mol 252 unq 5 iso 0 dist 9.2288 8.33025 8.41807 9.64349 11.8272 15.2956 6.0987 8.1715 8.1148 14.1962 numMergedOcc 0
61 mol 252 unq 6 iso 0 dist 9.2288 7.19638 11.7918 6.38733 9.78504 3.6688 6.0987 8.1715 10.5136 10.5963 numMergedOcc 0
62 mol 252 unq 7 iso 0 dist 9.2288 7.19638 11.7918 9.64349 11.8272 6.57801 6.0987 8.1715 10.5136 14.1962 numMergedOcc 0
63 mol 253 unq 0 iso 0 dist 8.31064 7.32223 7.25988 9.29422 10.8347 3.87128 8.02948 6.73034 11.6434 15.1393 numMergedOcc 0
