0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 7.12903 5.90976 5.51916 8.28153 6.49982 3.78082 4.25929 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 6.82505 9.97507 5.17568 7.12903 5.51916 5.90976 8.28153 3.78082 6.49982 4.25929 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 7.7312 4.44441 10.0411 9.61438 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.7312 10.0411 4.44441 9.61438 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 7.685 8.43188 10.3635 7.03372 7.23535 9.92243 4.60034 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 7.03372 9.92243 7.23535 4.60034 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.83618 10.4442 9.49077 9.02471 12.6657 14.0654 10.4465 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 9.02471 14.0654 12.6657 10.4465 numMergedOcc 0
8 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 7.18176 5.93337 4.5482 6.22221 8.88455 9.53385 6.35905 numMergedOcc 0
9 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 7.18176 4.5482 5.93337 6.22221 9.53385 8.88455 6.35905 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 9.4278 7.93183 10.7675 13.4402 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 9.4278 10.7675 7.93183 13.4402 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 9.4278 7.93183 10.5901 13.4402 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 9.4278 10.5901 7.93183 13.4402 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 9.4278 10.7675 10.5901 13.4402 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 9.4278 10.5901 10.7675 13.4402 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 6.77912 12.0644 7.11552 4.86198 5.21565 10.7434 10.4337 numMergedOcc 0
17 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 4.86198 10.7434 5.21565 10.4337 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 8.85601 17.4771 10.2467 11.3487 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 8.85601 10.2467 17.4771 11.3487 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 5.39356 10.2024 12.7606 6.92548 numMergedOcc 0
21 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 5.39356 12.7606 10.2024 6.92548 numMergedOcc 0
22 mol 127 unq 1 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 9.92746 5.4328 12.6193 16.8777 numMergedOcc 0
23 mol 127 unq 1 iso 1 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 9.92746 12.6193 5.4328 16.8777 numMergedOcc 0
24 mol 127 unq 2 iso 0 dist 8.14887 9.30299 7.30196 7.34519 7.41404 13.1312 5.39356 10.2024 12.7606 5.87751 numMergedOcc 0
25 mol 127 unq 2 iso 1 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 5.39356 12.7606 10.2024 5.87751 numMergedOcc 0
26 mol 127 unq 3 iso 0 dist 8.14887 9.30299 7.30196 7.34519 7.41404 13.1312 9.92746 5.4328 12.6193 5.08112 numMergedOcc 0
27 mol 127 unq 3 iso 1 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 9.92746 12.6193 5.4328 5.08112 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 9.13561 5.99333 8.25411 9.00072 12.2243 4.73288 11.2183 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 6.70283 8.56324 7.65448 9.13561 8.25411 5.99333 9.00072 4.73288 12.2243 11.2183 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.56324 7.16148 10.6875 9.13561 5.99333 7.89109 9.00072 12.2243 4.70284 11.2183 numMergedOcc 0
31 mol 152 unq 1 iso 1 dist 7.16148 8.56324 10.6875 9.13561 7.89109 5.99333 9.00072 4.70284 12.2243 11.2183 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 9.00072 4.73288 4.70284 11.2183 numMergedOcc 0
33 mol 152 unq 1 iso 1 dist 7.16148 6.70283 5.49936 9.13561 7.89109 8.25411 9.00072 4.70284 4.73288 11.2183 numMergedOcc 0
34 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 8.96511 10.5783 5.96647 4.72821 4.69387 3.70233 8.86443 numMergedOcc 0
35 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 8.96511 5.96647 10.5783 4.72821 3.70233 4.69387 8.86443 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 8.96511 10.5783 12.075 4.72821 4.69387 7.39705 8.86443 numMergedOcc 0
37 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 8.96511 12.075 10.5783 4.72821 7.39705 4.69387 8.86443 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 8.96511 10.5783 9.92132 4.72821 4.69387 9.77268 8.86443 numMergedOcc 0
39 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 8.96511 9.92132 10.5783 4.72821 9.77268 4.69387 8.86443 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 8.96511 5.96647 12.075 4.72821 3.70233 7.39705 8.86443 numMergedOcc 0
41 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 8.96511 12.075 5.96647 4.72821 7.39705 3.70233 8.86443 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 8.96511 5.96647 9.92132 4.72821 3.70233 9.77268 8.86443 numMergedOcc 0
43 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 8.96511 9.92132 5.96647 4.72821 9.77268 3.70233 8.86443 numMergedOcc 0
44 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 8.96511 12.075 9.92132 4.72821 7.39705 9.77268 8.86443 numMergedOcc 0
45 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 8.96511 9.92132 12.075 4.72821 9.77268 7.39705 8.86443 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 8.29467 6.13927 13.2274 9.55459 numMergedOcc 0
47 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 8.29467 13.2274 6.13927 9.55459 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 8.29467 6.13927 13.2274 7.66761 numMergedOcc 0
49 mol 181 unq 1 iso 1 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 8.29467 13.2274 6.13927 7.66761 numMergedOcc 0
50 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 6.82208 4.8892 11.0074 5.1609 6.91863 8.26703 3.72064 numMergedOcc 0
51 mol 222 unq 0 iso 1 dist 7.7699 8.01589 10.4579 6.82208 11.0074 4.8892 5.1609 8.26703 6.91863 3.72064 numMergedOcc 0
52 mol 222 unq 1 iso 0 dist 8.01589 7.21333 13.3522 6.82208 4.8892 12.2813 5.1609 6.91863 8.89157 3.72064 numMergedOcc 0
53 mol 222 unq 1 iso 1 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 5.1609 8.89157 6.91863 3.72064 numMergedOcc 0
54 mol 222 unq 1 iso 0 dist 7.7699 7.21333 5.24516 6.82208 11.0074 12.2813 5.1609 8.26703 8.89157 3.72064 numMergedOcc 0
55 mol 222 unq 1 iso 1 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 5.1609 8.89157 8.26703 3.72064 numMergedOcc 0
