0 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 7.49157 8.66248 6.72423 5.69214 7.95042 11.8884 12.089 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 7.73794 6.73521 4.0664 5.69214 7.95042 11.8884 10.4905 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 7.03372 9.92243 4.60034 4.77954 7.99919 12.201 11.6392 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 9.02471 12.6657 10.4465 5.41726 6.6263 13.07 12.649 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 9.02471 14.0654 10.4465 5.41726 6.75943 13.07 12.649 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 8.27463 5.84319 3.82801 5.1274 9.33906 13.126 12.4561 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 9.4278 7.93183 13.4402 5.61579 5.38524 7.03126 10.8756 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 9.4278 10.7675 13.4402 5.61579 8.69057 7.03126 10.8756 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 6.64012 6.46761 5.24906 6.79356 5.87468 4.43437 4.00553 9.08221 10.1478 9.10675 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 6.64012 7.58407 5.11205 6.79356 5.87468 9.59066 4.00553 9.08221 10.7327 9.10675 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 4.86198 10.7434 10.4337 5.69391 9.55118 5.4605 9.92478 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 4.86198 10.7434 10.4337 13.4212 9.10345 10.8476 15.6544 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 9.78528 9.02278 11.6894 6.62699 10.7434 7.82564 9.78221 9.55118 16.0371 9.92478 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 9.78528 9.02278 11.6894 6.62699 10.7434 7.82564 11.6634 9.10345 18.3118 15.6544 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 8.85601 17.4771 11.3487 4.3481 7.06939 10.5758 13.1158 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 9.64443 8.36431 12.4284 8.85601 10.2467 11.3487 5.31547 9.36001 13.3865 10.9088 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.30299 8.59981 14.085 5.39356 12.7606 6.92548 12.8087 6.08673 17.7403 17.4196 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 9.30299 8.59981 14.085 9.92746 12.6193 16.8777 12.8087 6.08673 17.7403 16.9845 numMergedOcc 0
18 mol 127 unq 2 iso 0 dist 9.30299 7.34519 13.1312 5.39356 12.7606 5.87751 12.8087 6.08673 17.9198 17.4196 numMergedOcc 0
19 mol 127 unq 3 iso 0 dist 9.30299 7.34519 13.1312 9.92746 12.6193 5.08112 12.8087 6.08673 17.9198 16.9845 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.56324 9.13561 5.99333 9.00072 12.2243 11.2183 5.39112 6.59889 10.5081 10.6225 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 8.56324 9.13561 5.99333 9.00072 12.2243 11.2183 4.84714 8.9192 12.0501 12.4493 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 6.70283 9.13561 8.25411 9.00072 4.73288 11.2183 5.39112 6.70693 10.5081 10.6225 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 4.72821 4.69387 8.86443 6.42973 7.06025 12.6109 9.15383 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.21333 6.82208 12.2813 5.1609 8.89157 3.72064 6.84862 5.56538 11.8745 8.88902 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 7.21333 6.82208 12.2813 5.1609 8.89157 3.72064 9.53117 7.48954 12.9858 9.83916 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 5.30224 8.37865 5.31048 9.18798 5.96249 10.5148 4.04513 8.03219 8.84648 12.3781 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 9.18798 5.96249 10.5148 7.09907 6.9899 6.23661 12.745 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 5.30224 8.37865 5.31048 8.25897 5.97386 11.0001 4.04513 8.03219 8.84648 12.1864 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 5.30224 8.37865 5.31048 8.25897 5.97386 11.0001 7.09907 6.9899 6.23661 10.838 numMergedOcc 0
