0 mol 15 unq 0 iso 0 dist 6.82505 9.97507 5.17568 7.12903 5.51916 5.90976 5.55659 9.78051 10.2713 8.96967 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 5.5841 9.80108 9.58539 9.95011 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 5.5841 9.80108 9.58539 13.6944 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 5.5841 9.80108 9.58539 10.7418 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 5.5841 9.80108 8.58657 9.95011 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 5.5841 9.80108 8.58657 13.6944 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 5.5841 9.80108 8.58657 10.7418 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 6.74265 8.58657 9.58539 10.7418 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 4.69858 6.20943 7.82528 10.7418 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 5.5841 8.58657 9.80108 9.95011 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 5.5841 8.58657 9.80108 13.6944 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 5.5841 8.58657 9.80108 10.7418 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 5.5841 8.58657 9.58539 9.95011 numMergedOcc 0
13 mol 19 unq 12 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 5.5841 8.58657 9.58539 13.6944 numMergedOcc 0
14 mol 19 unq 13 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 5.5841 8.58657 9.58539 10.7418 numMergedOcc 0
15 mol 19 unq 14 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 11.4401 8.78293 13.4721 9.95011 numMergedOcc 0
16 mol 19 unq 15 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 12.3093 8.23643 14.6255 13.6944 numMergedOcc 0
17 mol 19 unq 16 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 4.69858 7.82528 6.20943 10.7418 numMergedOcc 0
18 mol 45 unq 0 iso 0 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 6.89191 9.20119 12.1257 8.59109 numMergedOcc 0
19 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 6.75888 6.40841 10.335 8.80108 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 6.75888 6.40841 6.31428 8.80108 numMergedOcc 0
21 mol 58 unq 2 iso 0 dist 6.86465 6.62496 5.30792 9.58673 5.92889 10.2241 6.47744 8.63333 11.5023 7.01363 numMergedOcc 0
22 mol 58 unq 3 iso 0 dist 6.86465 6.35756 5.35073 9.58673 5.92889 7.05413 6.47744 8.63333 8.89374 7.01363 numMergedOcc 0
23 mol 58 unq 4 iso 0 dist 6.62496 6.86465 5.30792 9.58673 10.2241 5.92889 4.67832 9.64665 11.4118 13.848 numMergedOcc 0
24 mol 58 unq 5 iso 0 dist 6.62496 6.35756 4.81926 9.58673 10.2241 7.05413 4.67832 9.64665 9.66798 13.848 numMergedOcc 0
25 mol 58 unq 6 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 6.47744 8.89374 8.63333 7.01363 numMergedOcc 0
26 mol 58 unq 7 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 6.47744 8.89374 11.5023 7.01363 numMergedOcc 0
27 mol 58 unq 8 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 13.1021 9.73139 15.9764 12.8396 numMergedOcc 0
28 mol 58 unq 9 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 6.75888 6.31428 10.335 8.80108 numMergedOcc 0
29 mol 58 unq 10 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 13.1021 9.73139 10.9482 12.8396 numMergedOcc 0
30 mol 58 unq 11 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 6.75888 6.31428 6.40841 8.80108 numMergedOcc 0
31 mol 58 unq 12 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 10.3782 8.26899 13.7148 12.8396 numMergedOcc 0
32 mol 58 unq 13 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 10.3782 8.26899 13.7148 8.80108 numMergedOcc 0
33 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.24062 5.3525 11.0387 5.33688 6.71911 12.8699 6.5096 numMergedOcc 0
34 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 8.24062 5.3525 9.15805 5.33688 6.71911 11.6249 6.5096 numMergedOcc 0
35 mol 59 unq 2 iso 0 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 5.3525 8.24062 10.6318 6.5096 numMergedOcc 0
36 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 9.0131 7.321 13.3133 9.19459 numMergedOcc 0
37 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 7.11552 6.77912 11.9814 9.19459 numMergedOcc 0
38 mol 72 unq 2 iso 0 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 11.6894 9.02278 12.0903 13.4823 numMergedOcc 0
39 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 9.2603 6.95868 6.97239 8.4283 8.66514 10.6733 13.649 numMergedOcc 0
40 mol 88 unq 1 iso 0 dist 9.36773 8.31336 5.57085 9.2603 6.95868 6.97239 5.37521 9.25235 8.69012 12.48 numMergedOcc 0
41 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 15.209 7.75343 11.8016 16.0363 numMergedOcc 0
42 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 15.209 7.75343 15.6924 16.0363 numMergedOcc 0
43 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 10.1589 8.72704 10.5193 16.0363 numMergedOcc 0
44 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 10.1589 8.72704 15.8984 16.0363 numMergedOcc 0
45 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 10.1589 8.72704 14.8726 16.0363 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 10.7942 7.76729 12.9821 12.4065 numMergedOcc 0
47 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 10.7942 7.76729 12.9821 6.40036 numMergedOcc 0
48 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 6.09023 9.66954 8.66155 12.4065 numMergedOcc 0
49 mol 115 unq 3 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 10.2377 7.64585 12.2309 6.40036 numMergedOcc 0
50 mol 115 unq 4 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 10.9739 7.76729 17.6696 12.4065 numMergedOcc 0
51 mol 115 unq 5 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 10.9739 7.76729 12.9821 12.4065 numMergedOcc 0
52 mol 115 unq 6 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 6.09023 8.66155 9.66954 12.4065 numMergedOcc 0
53 mol 115 unq 7 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 10.8292 6.99777 13.9977 9.9411 numMergedOcc 0
54 mol 115 unq 8 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 6.12943 9.14376 9.65429 11.764 numMergedOcc 0
55 mol 115 unq 9 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 10.8292 6.99777 13.9977 17.3282 numMergedOcc 0
56 mol 115 unq 10 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 6.12943 9.14376 9.65429 12.1188 numMergedOcc 0
57 mol 115 unq 11 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 4.61908 9.66954 8.66155 9.9411 numMergedOcc 0
58 mol 115 unq 12 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 10.8939 7.64585 12.2309 17.3282 numMergedOcc 0
59 mol 115 unq 13 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 4.61908 9.66954 8.66155 11.764 numMergedOcc 0
60 mol 115 unq 14 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 10.8939 7.64585 12.2309 12.1188 numMergedOcc 0
61 mol 115 unq 15 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 11.7126 6.99777 11.695 9.9411 numMergedOcc 0
62 mol 115 unq 16 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 4.62962 9.14376 10.0603 11.764 numMergedOcc 0
63 mol 115 unq 17 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 11.7126 6.99777 13.9977 9.9411 numMergedOcc 0
64 mol 115 unq 18 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 4.62962 9.14376 9.65429 11.764 numMergedOcc 0
65 mol 115 unq 19 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 4.61908 8.66155 9.66954 9.9411 numMergedOcc 0
66 mol 115 unq 20 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 4.61908 8.66155 9.66954 11.764 numMergedOcc 0
67 mol 127 unq 0 iso 0 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 4.77464 9.81878 11.7714 6.3244 numMergedOcc 0
68 mol 127 unq 1 iso 0 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 4.77464 9.81878 11.7714 11.7518 numMergedOcc 0
69 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 6.3845 7.16254 9.14392 6.51096 numMergedOcc 0
70 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 5.86939 9.86313 7.51198 10.3514 numMergedOcc 0
71 mol 155 unq 2 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 6.3845 9.14392 7.16254 6.51096 numMergedOcc 0
72 mol 155 unq 3 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 5.86939 7.51198 9.86313 10.3514 numMergedOcc 0
73 mol 155 unq 4 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 6.3437 9.17284 12.2465 6.51096 numMergedOcc 0
74 mol 155 unq 5 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 6.3437 9.17284 12.2465 10.3514 numMergedOcc 0
75 mol 155 unq 6 iso 0 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 12.8482 9.38946 15.9495 18.2998 numMergedOcc 0
76 mol 155 unq 7 iso 0 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 8.27726 7.36102 12.1081 13.2154 numMergedOcc 0
77 mol 155 unq 8 iso 0 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 12.8482 9.38946 15.9495 11.3251 numMergedOcc 0
78 mol 155 unq 9 iso 0 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 8.27726 7.36102 12.1081 7.37901 numMergedOcc 0
79 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 6.27641 7.29758 8.67156 6.29785 9.36805 13.1853 6.90155 numMergedOcc 0
80 mol 156 unq 1 iso 0 dist 7.44554 9.83699 8.38403 6.27641 7.29758 4.53931 6.29785 9.36805 7.55203 6.90155 numMergedOcc 0
81 mol 156 unq 2 iso 0 dist 9.83699 7.44554 8.38403 6.27641 4.53931 7.29758 6.29785 7.55203 9.36805 6.90155 numMergedOcc 0
82 mol 156 unq 3 iso 0 dist 9.83699 8.94056 11.2719 6.27641 4.53931 8.67156 6.29785 7.55203 13.1853 6.90155 numMergedOcc 0
83 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 11.0415 9.31887 12.816 4.79852 numMergedOcc 0
84 mol 175 unq 1 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 11.0415 9.31887 11.3137 4.79852 numMergedOcc 0
85 mol 175 unq 2 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 8.22779 9.8589 7.24908 4.79852 numMergedOcc 0
86 mol 175 unq 3 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 5.0384 9.31887 12.816 4.79852 numMergedOcc 0
87 mol 175 unq 4 iso 0 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 8.22779 7.24908 9.8589 4.79852 numMergedOcc 0
88 mol 175 unq 5 iso 0 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 5.28109 9.0664 10.689 12.8738 numMergedOcc 0
89 mol 175 unq 6 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 5.28109 9.0664 11.5506 12.8738 numMergedOcc 0
90 mol 175 unq 7 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 10.5631 9.8589 7.24908 12.8738 numMergedOcc 0
91 mol 175 unq 8 iso 0 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.14477 9.0664 10.689 12.8738 numMergedOcc 0
92 mol 175 unq 9 iso 0 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 10.5631 7.24908 9.8589 12.8738 numMergedOcc 0
93 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 5.4601 7.20046 10.2276 10.5561 numMergedOcc 0
94 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 10.0524 7.13543 10.7636 11.7007 numMergedOcc 0
95 mol 181 unq 2 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 5.4601 7.20046 10.2276 9.94131 numMergedOcc 0
96 mol 181 unq 3 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 10.0524 7.13543 10.7636 12.8673 numMergedOcc 0
97 mol 181 unq 4 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 5.4601 7.20046 11.968 10.5561 numMergedOcc 0
98 mol 181 unq 5 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 10.0524 7.13543 11.8099 11.7007 numMergedOcc 0
99 mol 181 unq 6 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 5.4601 7.20046 11.968 9.94131 numMergedOcc 0
100 mol 181 unq 7 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 10.0524 7.13543 11.8099 12.8673 numMergedOcc 0
101 mol 181 unq 8 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 5.86342 6.94688 14.4632 10.5561 numMergedOcc 0
102 mol 181 unq 9 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 9.14057 6.71012 15.4777 9.94131 numMergedOcc 0
103 mol 181 unq 10 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 5.86342 6.94688 14.4632 11.7007 numMergedOcc 0
104 mol 181 unq 11 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 9.14057 6.71012 15.4777 12.8673 numMergedOcc 0
105 mol 181 unq 12 iso 0 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 8.25067 9.6668 13.2702 8.20656 numMergedOcc 0
106 mol 181 unq 13 iso 0 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 8.25067 9.6668 13.2702 9.40622 numMergedOcc 0
107 mol 181 unq 14 iso 0 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 8.25067 9.6668 10.8351 8.20656 numMergedOcc 0
108 mol 181 unq 15 iso 0 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 8.25067 9.6668 10.8351 9.40622 numMergedOcc 0
109 mol 181 unq 16 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 6.7991 4.93785 10.1232 12.2455 numMergedOcc 0
110 mol 181 unq 17 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 6.7991 4.93785 10.1232 11.691 numMergedOcc 0
111 mol 181 unq 18 iso 0 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 4.80231 6.93764 11.4148 10.7841 numMergedOcc 0
112 mol 181 unq 19 iso 0 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 4.80231 6.93764 11.4148 11.1129 numMergedOcc 0
113 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 6.97182 8.47007 6.16485 6.67959 7.46831 10.852 11.7443 numMergedOcc 0
114 mol 214 unq 1 iso 0 dist 8.85478 9.65138 4.40923 6.1175 12.8334 11.5712 6.67959 7.46831 10.852 12.7646 numMergedOcc 0
115 mol 214 unq 2 iso 0 dist 8.85478 7.14453 11.3796 6.97182 8.47007 5.33565 6.67959 7.46831 12.6888 11.7443 numMergedOcc 0
116 mol 214 unq 3 iso 0 dist 8.85478 7.14453 11.3796 6.1175 12.8334 5.06792 6.67959 7.46831 12.6888 12.7646 numMergedOcc 0
117 mol 224 unq 0 iso 0 dist 8.95269 6.57273 4.70378 6.87664 7.98696 7.12232 9.36098 7.06793 10.0414 8.89778 numMergedOcc 0
118 mol 224 unq 1 iso 0 dist 8.95269 6.57273 4.70378 6.87664 7.98696 7.12232 5.29877 6.67585 6.65984 9.47554 numMergedOcc 0
119 mol 224 unq 2 iso 0 dist 8.95269 5.78342 11.5372 6.87664 7.98696 5.3621 9.36098 7.06793 12.7072 8.89778 numMergedOcc 0
120 mol 224 unq 3 iso 0 dist 8.95269 5.78342 11.5372 6.87664 7.98696 5.3621 5.29877 6.67585 10.667 9.47554 numMergedOcc 0
121 mol 224 unq 4 iso 0 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 5.29877 6.65984 6.67585 9.47554 numMergedOcc 0
122 mol 224 unq 5 iso 0 dist 6.57273 5.78342 8.49799 6.87664 7.12232 5.3621 5.29877 6.65984 10.667 9.47554 numMergedOcc 0
123 mol 224 unq 6 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 7.12232 6.87664 10.8259 9.47554 numMergedOcc 0
124 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 6.07192 6.48757 5.51827 10.1857 8.50864 11.9152 13.4404 numMergedOcc 0
125 mol 248 unq 1 iso 0 dist 7.69895 8.2965 10.8081 6.07192 6.48757 9.29921 10.1857 8.50864 14.4409 13.4404 numMergedOcc 0
126 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 8.8673 10.1236 8.14825 6.3384 6.85028 10.4802 13.4504 numMergedOcc 0
127 mol 282 unq 1 iso 0 dist 8.04483 6.33524 5.39891 8.8673 10.1236 7.36881 6.3384 6.85028 7.32347 13.4504 numMergedOcc 0
128 mol 282 unq 2 iso 0 dist 6.33524 8.04483 5.39891 8.8673 7.36881 10.1236 6.3384 7.32347 6.85028 13.4504 numMergedOcc 0
129 mol 282 unq 3 iso 0 dist 6.33524 8.76532 4.66602 8.8673 7.36881 8.14825 6.3384 7.32347 10.4802 13.4504 numMergedOcc 0
