0 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 5.60154 8.47421 9.29529 9.62394 9.5997 4.45625 9.57198 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 9.62394 9.5997 6.0397 9.57198 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 9.01651 12.1257 8.59109 10.862 12.8618 8.70414 5.55096 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 6.89191 12.1257 8.59109 10.6216 12.8618 8.70414 5.55096 numMergedOcc 0
4 mol 45 unq 2 iso 0 dist 7.58835 6.34173 5.67689 6.89191 9.20119 8.59109 10.6216 10.7082 8.70414 5.55096 numMergedOcc 0
5 mol 45 unq 3 iso 0 dist 7.58835 9.20119 6.89191 16.2375 14.4997 8.13782 19.0256 14.5768 9.85038 7.21995 numMergedOcc 0
6 mol 45 unq 4 iso 0 dist 7.58835 9.20119 6.89191 16.2375 14.4997 8.13782 21.8182 16.6977 13.1805 9.62637 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 6.75888 10.335 8.80108 7.21955 7.09066 10.8421 8.71468 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 7.21955 7.12541 10.8421 8.71468 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 8.80614 10.2049 8.88332 9.11258 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 6.62496 9.58673 10.2241 6.47744 11.5023 7.01363 8.80614 9.95364 8.88332 9.11258 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 8.80614 5.49591 8.88332 9.11258 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 7.21955 5.74871 10.8421 8.71468 numMergedOcc 0
13 mol 59 unq 0 iso 0 dist 7.71095 8.24062 5.3525 5.33688 6.71911 6.5096 6.73347 9.64444 7.0313 9.2902 numMergedOcc 0
14 mol 59 unq 1 iso 0 dist 8.84665 8.24062 11.0387 5.33688 12.8699 6.5096 6.73347 4.36133 7.0313 9.2902 numMergedOcc 0
15 mol 59 unq 2 iso 0 dist 8.25513 8.24062 9.15805 5.33688 11.6249 6.5096 6.73347 6.66692 7.0313 9.2902 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 10.7942 7.76729 6.40036 13.3009 14.0688 5.67953 7.70313 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 10.2377 7.64585 6.40036 12.125 6.40494 9.65908 7.52142 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 5.83991 7.76729 10.9739 10.2377 12.2309 6.40036 12.125 10.4285 9.65908 7.52142 numMergedOcc 0
19 mol 115 unq 3 iso 0 dist 6.11741 7.64585 10.8939 10.7942 12.9821 6.40036 13.3009 16.1804 5.67953 7.70313 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 6.23493 9.17284 4.9093 6.3845 7.16254 6.51096 10.9606 10.4923 7.6506 9.0529 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 7.46303 9.17284 6.3437 6.3845 9.14392 6.51096 10.9606 6.89781 7.6506 9.0529 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 7.92304 5.50031 5.50045 9.80845 numMergedOcc 0
23 mol 155 unq 3 iso 0 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 10.3161 6.89781 6.40403 7.55196 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 7.44554 9.36805 6.29785 7.29758 6.27641 6.90155 9.44367 5.4555 10.143 5.81122 numMergedOcc 0
25 mol 156 unq 1 iso 0 dist 9.83699 7.55203 6.29785 4.53931 6.27641 6.90155 10.3379 5.4555 10.143 5.81122 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 10.4182 8.29015 4.30489 5.4997 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 13.5281 14.7282 4.57622 6.99693 numMergedOcc 0
28 mol 175 unq 2 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 10.4182 4.63177 4.30489 5.4997 numMergedOcc 0
29 mol 175 unq 3 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 13.5281 9.30597 4.57622 6.99693 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 8.25067 13.2702 8.20656 8.90963 8.91338 4.43678 5.95304 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 8.25067 13.2702 9.40622 8.90963 8.91338 6.03415 5.95304 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 8.25067 10.8351 8.20656 8.90963 9.81073 4.43678 5.95304 numMergedOcc 0
33 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 8.25067 10.8351 9.40622 8.90963 9.81073 6.03415 5.95304 numMergedOcc 0
34 mol 181 unq 4 iso 0 dist 9.15386 6.94688 6.80228 8.25067 9.6668 8.20656 8.90963 9.34211 4.43678 5.95304 numMergedOcc 0
35 mol 181 unq 5 iso 0 dist 9.15386 6.71012 11.6919 8.25067 9.6668 9.40622 8.90963 9.34211 6.03415 5.95304 numMergedOcc 0
36 mol 181 unq 6 iso 0 dist 9.15386 9.6668 8.25067 6.80228 6.94688 8.20656 12.8533 6.6251 14.048 9.06217 numMergedOcc 0
37 mol 181 unq 7 iso 0 dist 9.15386 9.6668 8.25067 11.6919 6.71012 9.40622 12.8533 6.6251 14.048 7.13252 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 9.40098 8.19953 8.64911 7.67202 11.1518 4.55996 11.6901 5.88416 6.09379 9.22384 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 9.40098 8.19953 8.64911 7.67202 11.1518 4.55996 9.51597 4.98993 6.99977 8.08737 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 6.61986 8.19953 10.7113 7.67202 12.6391 4.55996 11.6901 13.016 6.09379 9.22384 numMergedOcc 0
41 mol 224 unq 3 iso 0 dist 6.61986 8.19953 10.7113 7.67202 12.6391 4.55996 9.51597 12.4692 6.99977 8.08737 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 8.41436 6.16063 11.3297 5.9221 13.651 8.49841 7.32499 10.7902 7.17691 7.43663 numMergedOcc 0
43 mol 234 unq 1 iso 0 dist 8.92474 6.16063 10.2563 5.9221 10.521 8.49841 7.32499 4.4288 7.17691 7.43663 numMergedOcc 0
44 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 10.6981 10.7117 7.27958 16.4912 14.7526 10.1944 6.54825 numMergedOcc 0
