0 mol 15 unq 0 iso 0 dist 9.97507 7.12903 5.90976 8.28153 6.49982 4.25929 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.82505 7.12903 5.51916 8.28153 3.78082 4.25929 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.51865 8.58657 6.74265 7.7312 4.44441 9.61438 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.864 8.58657 5.5841 7.7312 10.0411 9.61438 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 7.49157 8.66248 6.72423 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 7.73794 6.73521 4.0664 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 7.31767 7.685 8.43188 7.03372 7.23535 4.60034 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 6.03987 7.685 10.3635 7.03372 9.92243 4.60034 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 7.98005 12.5438 8.62111 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.34347 6.73162 7.23546 8.31381 8.39015 9.18438 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 9.02471 12.6657 10.4465 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 9.02471 14.0654 10.4465 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 8.27463 5.84319 3.82801 numMergedOcc 0
13 mol 52 unq 0 iso 0 dist 9.80098 7.18176 5.93337 6.22221 8.88455 6.35905 numMergedOcc 0
14 mol 52 unq 1 iso 0 dist 7.34143 7.18176 4.5482 6.22221 9.53385 6.35905 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 9.4278 7.93183 13.4402 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 9.4278 10.7675 13.4402 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 7.32874 6.40841 6.75888 8.34191 8.44881 3.8375 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 7.32874 6.40841 6.75888 6.39747 4.25144 6.11446 numMergedOcc 0
19 mol 58 unq 4 iso 0 dist 6.86465 8.63333 6.47744 9.23438 4.59417 4.43437 numMergedOcc 0
20 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 7.17488 4.59417 4.43437 numMergedOcc 0
21 mol 58 unq 6 iso 0 dist 6.64012 6.46761 5.24906 6.79356 5.87468 4.43437 numMergedOcc 0
22 mol 58 unq 7 iso 0 dist 6.64012 7.58407 5.11205 6.79356 5.87468 9.59066 numMergedOcc 0
23 mol 58 unq 8 iso 0 dist 9.55426 8.26899 10.3782 9.4278 10.5901 13.4402 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 4.86198 5.21565 10.4337 numMergedOcc 0
25 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 4.86198 10.7434 10.4337 numMergedOcc 0
26 mol 72 unq 2 iso 0 dist 9.78528 9.02278 11.6894 6.62699 10.7434 7.82564 numMergedOcc 0
27 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 9.07128 10.8406 3.99025 numMergedOcc 0
28 mol 88 unq 1 iso 0 dist 9.36773 8.66514 8.4283 6.65615 4.47193 6.69123 numMergedOcc 0
29 mol 88 unq 2 iso 0 dist 9.36773 9.25235 5.37521 9.07128 10.8406 6.08504 numMergedOcc 0
30 mol 88 unq 3 iso 0 dist 9.36773 9.25235 5.37521 6.65615 4.47193 3.77436 numMergedOcc 0
31 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 8.85601 17.4771 11.3487 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 9.64443 8.36431 12.4284 8.85601 10.2467 11.3487 numMergedOcc 0
33 mol 114 unq 0 iso 0 dist 7.5732 8.71128 5.80557 9.93438 6.25685 5.80637 numMergedOcc 0
34 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 5.39356 10.2024 6.92548 numMergedOcc 0
35 mol 127 unq 1 iso 0 dist 8.14887 8.59981 14.9761 9.92746 5.4328 16.8777 numMergedOcc 0
36 mol 127 unq 2 iso 0 dist 8.14887 7.34519 7.41404 5.39356 10.2024 5.87751 numMergedOcc 0
37 mol 127 unq 3 iso 0 dist 8.14887 7.34519 7.41404 9.92746 5.4328 5.08112 numMergedOcc 0
38 mol 127 unq 4 iso 0 dist 9.30299 8.59981 14.085 5.39356 12.7606 6.92548 numMergedOcc 0
39 mol 127 unq 5 iso 0 dist 9.30299 8.59981 14.085 9.92746 12.6193 16.8777 numMergedOcc 0
40 mol 127 unq 6 iso 0 dist 9.30299 7.34519 13.1312 5.39356 12.7606 5.87751 numMergedOcc 0
41 mol 127 unq 7 iso 0 dist 9.30299 7.34519 13.1312 9.92746 12.6193 5.08112 numMergedOcc 0
42 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 8.80895 11.6692 6.25029 numMergedOcc 0
43 mol 131 unq 1 iso 0 dist 6.85062 9.51418 6.6499 8.80895 11.6692 13.4297 numMergedOcc 0
44 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 5.77186 6.85721 5.82383 numMergedOcc 0
45 mol 152 unq 0 iso 0 dist 8.56324 9.13561 5.99333 9.00072 12.2243 11.2183 numMergedOcc 0
46 mol 152 unq 1 iso 0 dist 6.70283 9.13561 8.25411 9.00072 4.73288 11.2183 numMergedOcc 0
47 mol 152 unq 2 iso 0 dist 7.16148 9.13561 7.89109 9.00072 4.70284 11.2183 numMergedOcc 0
48 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 9.19156 13.8965 16.559 numMergedOcc 0
49 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 4.72821 4.69387 8.86443 numMergedOcc 0
50 mol 178 unq 1 iso 0 dist 6.43573 8.96511 5.96647 4.72821 3.70233 8.86443 numMergedOcc 0
51 mol 178 unq 2 iso 0 dist 7.17202 8.96511 12.075 4.72821 7.39705 8.86443 numMergedOcc 0
52 mol 178 unq 3 iso 0 dist 8.81551 8.96511 9.92132 4.72821 9.77268 8.86443 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 8.29467 6.13927 9.55459 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 7.81386 7.37327 11.1462 8.29467 6.13927 7.66761 numMergedOcc 0
55 mol 181 unq 2 iso 0 dist 7.63312 7.98142 9.60512 8.29467 13.2274 9.55459 numMergedOcc 0
56 mol 181 unq 3 iso 0 dist 7.63312 7.37327 13.3389 8.29467 13.2274 7.66761 numMergedOcc 0
57 mol 222 unq 0 iso 0 dist 8.01589 6.82208 4.8892 5.1609 6.91863 3.72064 numMergedOcc 0
58 mol 222 unq 1 iso 0 dist 7.7699 6.82208 11.0074 5.1609 8.26703 3.72064 numMergedOcc 0
59 mol 222 unq 2 iso 0 dist 7.21333 6.82208 12.2813 5.1609 8.89157 3.72064 numMergedOcc 0
60 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 8.08965 4.75609 14.2299 numMergedOcc 0
61 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 7.79063 6.19721 4.40718 numMergedOcc 0
62 mol 256 unq 0 iso 0 dist 8.29103 5.24676 4.22352 4.80903 5.08421 3.89364 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 5.30224 8.37865 5.31048 9.18798 5.96249 10.5148 numMergedOcc 0
64 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 8.25897 5.97386 11.0001 numMergedOcc 0
65 mol 277 unq 0 iso 0 dist 9.7748 9.41725 6.58374 4.9764 11.8607 13.6468 numMergedOcc 0
66 mol 277 unq 1 iso 0 dist 9.7748 9.41725 6.58374 6.36559 10.9137 13.3297 numMergedOcc 0
