0 mol 15 unq 0 iso 0 dist 6.82505 7.12903 5.51916 5.55659 9.78051 8.96967 9.03536 10.4158 8.21493 5.01321 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.58835 6.34173 5.67689 6.89191 9.20119 8.59109 5.24762 11.2563 7.06308 9.01651 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 7.58835 6.34173 5.67689 6.89191 9.20119 8.59109 5.101 11.5838 9.43442 5.54436 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 7.08557 10.1508 9.33535 6.78077 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 4.55117 8.26899 8.80108 11.0466 13.4544 7.58407 14.7581 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.32874 6.40841 6.75888 4.55117 8.26899 8.80108 5.90225 9.55426 6.31428 10.3782 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 5.35073 6.35756 8.89374 7.05413 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 10.8153 10.3224 6.46761 6.61756 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 14.5953 15.4557 9.73139 8.94672 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 5.35073 6.86465 8.63333 5.92889 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 8.62958 10.3224 6.46761 6.61756 numMergedOcc 0
11 mol 58 unq 8 iso 0 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 14.176 15.4557 9.73139 8.94672 numMergedOcc 0
12 mol 58 unq 9 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 7.08557 12.7357 9.33535 6.78077 numMergedOcc 0
13 mol 58 unq 10 iso 0 dist 9.55426 6.31428 6.75888 10.3782 8.26899 8.80108 5.90225 7.32874 6.40841 4.55117 numMergedOcc 0
14 mol 58 unq 11 iso 0 dist 9.55426 6.31428 6.75888 10.3782 8.26899 8.80108 6.47414 13.4544 7.58407 14.7581 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 5.36766 10.8086 8.624 6.00418 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 7.35754 8.68821 5.33327 4.77056 7.52743 7.36816 8.66412 10.473 7.12609 5.31865 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 7.35754 7.52743 4.77056 5.33327 8.68821 7.36816 5.59517 10.1937 8.71128 9.2907 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 9.30299 8.59981 14.085 4.77464 9.81878 6.3244 11.279 17.6472 6.192 8.00931 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 9.30299 8.59981 14.085 4.77464 9.81878 6.3244 11.4958 15.0647 7.69308 6.85862 numMergedOcc 0
20 mol 127 unq 2 iso 0 dist 9.30299 8.59981 14.085 4.77464 9.81878 6.3244 5.55757 14.7391 7.66331 7.11695 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 6.23493 9.17284 4.9093 6.3845 7.16254 6.51096 10.6882 12.1555 9.87281 5.48883 numMergedOcc 0
22 mol 155 unq 1 iso 0 dist 6.23493 9.17284 4.9093 6.3845 7.16254 6.51096 12.1545 11.6934 8.87452 5.77564 numMergedOcc 0
23 mol 155 unq 2 iso 0 dist 6.23493 7.16254 6.3845 4.9093 9.17284 6.51096 5.71071 7.46303 9.14392 6.3437 numMergedOcc 0
24 mol 155 unq 3 iso 0 dist 7.46303 9.17284 6.3437 6.3845 9.14392 6.51096 10.6882 12.3052 9.87281 5.48883 numMergedOcc 0
25 mol 155 unq 4 iso 0 dist 7.46303 9.17284 6.3437 6.3845 9.14392 6.51096 12.1545 13.4817 8.87452 5.77564 numMergedOcc 0
26 mol 155 unq 5 iso 0 dist 7.46303 9.14392 6.3845 6.3437 9.17284 6.51096 5.71071 6.23493 7.16254 4.9093 numMergedOcc 0
27 mol 155 unq 6 iso 0 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 10.7616 10.7829 7.39644 5.40375 numMergedOcc 0
28 mol 155 unq 7 iso 0 dist 6.43582 7.51198 6.34186 8.27726 7.36102 7.37901 5.71071 10.2463 9.86313 13.5062 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 7.44554 9.36805 6.29785 7.29758 6.27641 6.90155 5.76755 10.4649 8.47155 9.30783 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 7.44554 9.36805 6.29785 7.29758 6.27641 6.90155 8.38403 9.83699 7.55203 4.53931 numMergedOcc 0
31 mol 156 unq 2 iso 0 dist 9.83699 7.55203 6.29785 4.53931 6.27641 6.90155 7.60354 10.4649 8.47155 9.30783 numMergedOcc 0
32 mol 156 unq 3 iso 0 dist 9.83699 7.55203 6.29785 4.53931 6.27641 6.90155 8.38403 7.44554 9.36805 7.29758 numMergedOcc 0
33 mol 175 unq 0 iso 0 dist 9.0018 9.8589 8.22779 11.0415 9.31887 4.79852 7.42466 7.652 7.24908 5.0384 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 7.652 7.24908 8.22779 5.0384 9.31887 4.79852 7.42466 9.0018 9.8589 11.0415 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 8.95269 6.67585 5.29877 7.98696 6.87664 9.47554 4.70378 6.57273 6.65984 7.12232 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 6.57273 6.65984 5.29877 7.12232 6.87664 9.47554 4.70378 8.95269 6.67585 7.98696 numMergedOcc 0
