0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 8.27181 8.33604 13.3876 10.2611 4.85329 12.9498 6.26865 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 5.90976 8.21493 7.12903 10.2713 5.01321 5.55659 8.96967 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 9.97507 8.38064 9.03536 5.90976 7.12903 8.21493 10.2713 5.55659 5.01321 8.96967 numMergedOcc 0
3 mol 15 unq 2 iso 0 dist 6.82505 9.97507 5.17568 5.55659 9.78051 10.2713 7.12903 5.51916 5.90976 8.96967 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 6.43774 7.2846 5.24762 4.71384 7.06308 6.34173 12.1257 9.01651 6.89191 8.59109 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 7.2846 6.43774 5.24762 4.71384 6.34173 7.06308 12.1257 6.89191 9.01651 8.59109 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 7.58835 7.2846 8.81358 6.89191 9.20119 12.1257 6.34173 5.67689 4.71384 8.59109 numMergedOcc 0
7 mol 45 unq 3 iso 0 dist 7.58835 7.2846 8.81358 6.89191 9.20119 12.1257 14.4997 16.2375 18.248 8.13782 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 8.26899 4.55117 5.98837 8.80108 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 11.3177 5.64209 11.0512 6.50297 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 8.26899 4.55117 10.3782 8.80108 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 11.3177 5.64209 7.02095 6.50297 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 12.4575 10.6476 15.4158 6.96494 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 9.58673 5.92889 10.2241 7.01363 numMergedOcc 0
14 mol 58 unq 6 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 12.4575 10.6476 12.7331 6.96494 numMergedOcc 0
15 mol 58 unq 7 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 9.58673 5.92889 7.05413 7.01363 numMergedOcc 0
16 mol 58 unq 8 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 12.4575 12.7331 10.6476 6.96494 numMergedOcc 0
17 mol 58 unq 9 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 9.58673 7.05413 5.92889 7.01363 numMergedOcc 0
18 mol 58 unq 10 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 12.4575 12.7331 15.4158 6.96494 numMergedOcc 0
19 mol 58 unq 11 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 9.58673 7.05413 10.2241 7.01363 numMergedOcc 0
20 mol 58 unq 12 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 9.89984 8.74789 7.02095 6.96494 numMergedOcc 0
21 mol 58 unq 13 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 10.9283 6.61756 8.94672 7.01363 numMergedOcc 0
22 mol 58 unq 14 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 13.7148 14.7581 10.3782 8.80108 numMergedOcc 0
23 mol 58 unq 15 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 9.89984 8.74789 7.02095 6.50297 numMergedOcc 0
24 mol 58 unq 16 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 9.89984 7.02095 8.74789 6.96494 numMergedOcc 0
25 mol 58 unq 17 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 10.9283 8.94672 6.61756 7.01363 numMergedOcc 0
26 mol 58 unq 18 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 13.7148 10.3782 14.7581 8.80108 numMergedOcc 0
27 mol 58 unq 19 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 9.89984 7.02095 8.74789 6.50297 numMergedOcc 0
28 mol 58 unq 20 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 11.3177 7.02095 11.0512 6.96494 numMergedOcc 0
29 mol 58 unq 21 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 16.3779 8.94672 16.6063 7.01363 numMergedOcc 0
30 mol 58 unq 22 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 8.26899 10.3782 5.98837 8.80108 numMergedOcc 0
31 mol 58 unq 23 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 11.3177 7.02095 11.0512 6.50297 numMergedOcc 0
32 mol 58 unq 24 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 11.3177 7.02095 5.64209 6.96494 numMergedOcc 0
33 mol 58 unq 25 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 16.3779 8.94672 11.2323 7.01363 numMergedOcc 0
34 mol 58 unq 26 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 8.26899 10.3782 4.55117 8.80108 numMergedOcc 0
35 mol 58 unq 27 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 11.3177 7.02095 5.64209 6.50297 numMergedOcc 0
36 mol 58 unq 28 iso 0 dist 9.55426 9.4099 10.6169 10.3782 8.26899 13.7148 6.31428 6.75888 5.11205 8.80108 numMergedOcc 0
37 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 5.33688 6.71911 12.8699 8.24062 5.3525 11.0387 6.5096 numMergedOcc 0
38 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 5.33688 6.71911 11.6249 8.24062 5.3525 9.15805 6.5096 numMergedOcc 0
39 mol 59 unq 2 iso 0 dist 7.71095 6.85766 10.0246 5.3525 8.24062 10.6318 6.71911 5.33688 7.29033 6.5096 numMergedOcc 0
40 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 9.0131 7.321 13.3133 6.77912 7.11552 12.0644 9.19459 numMergedOcc 0
41 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 9.0131 7.321 13.3133 10.4676 7.17489 15.5932 8.59747 numMergedOcc 0
42 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 7.321 9.0131 6.11922 9.19459 numMergedOcc 0
43 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 8.4283 8.66514 10.6733 9.15979 5.90098 4.58465 7.71582 numMergedOcc 0
44 mol 88 unq 1 iso 0 dist 9.36773 8.31336 5.57085 5.37521 9.25235 8.69012 9.15979 5.90098 4.58465 6.65776 numMergedOcc 0
45 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 12.0409 6.34759 10.1863 7.99631 numMergedOcc 0
46 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 7.64585 10.2377 10.8939 6.40036 numMergedOcc 0
47 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 7.76729 10.7942 10.9739 6.40036 numMergedOcc 0
48 mol 115 unq 3 iso 0 dist 5.83991 7.30858 10.8507 10.9739 7.76729 17.6696 11.8557 6.34759 16.5921 7.99631 numMergedOcc 0
49 mol 115 unq 4 iso 0 dist 5.83991 7.30858 10.8507 10.9739 7.76729 17.6696 12.2309 10.2377 19.2193 6.40036 numMergedOcc 0
50 mol 115 unq 5 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 11.8557 6.34759 10.1863 7.99631 numMergedOcc 0
51 mol 115 unq 6 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 12.2309 10.2377 10.8939 6.40036 numMergedOcc 0
52 mol 115 unq 7 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 12.9821 10.7942 10.9739 6.40036 numMergedOcc 0
53 mol 127 unq 0 iso 0 dist 9.30299 8.14887 7.30196 4.77464 9.81878 11.7714 8.59981 14.085 14.9761 6.3244 numMergedOcc 0
54 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 19.3117 11.8989 23.8203 9.94276 numMergedOcc 0
55 mol 133 unq 1 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 20.5979 15.0734 26 9.05357 numMergedOcc 0
56 mol 133 unq 2 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 16.126 9.58627 20.0398 5.99299 numMergedOcc 0
57 mol 133 unq 3 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 19.3117 11.8989 18.9016 9.94276 numMergedOcc 0
58 mol 133 unq 4 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 20.5979 15.0734 22.3983 9.05357 numMergedOcc 0
59 mol 133 unq 5 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 16.126 9.58627 17.3115 5.99299 numMergedOcc 0
60 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 9.17284 4.9093 6.3437 6.51096 numMergedOcc 0
61 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 13.2459 10.7896 9.99927 8.73171 numMergedOcc 0
62 mol 155 unq 2 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 12.1081 13.5062 8.27726 7.37901 numMergedOcc 0
63 mol 155 unq 3 iso 0 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 9.17284 6.3437 4.9093 6.51096 numMergedOcc 0
64 mol 155 unq 4 iso 0 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 13.2459 9.99927 10.7896 8.73171 numMergedOcc 0
65 mol 155 unq 5 iso 0 dist 7.46303 6.23493 5.71071 5.86939 7.51198 9.86313 12.1081 8.27726 13.5062 7.37901 numMergedOcc 0
66 mol 155 unq 6 iso 0 dist 7.46303 6.43582 7.66392 6.3437 9.17284 12.2465 9.14392 6.3845 12.1814 6.51096 numMergedOcc 0
67 mol 155 unq 7 iso 0 dist 6.43582 7.46303 7.66392 8.27726 7.36102 12.1081 7.51198 6.34186 5.86939 7.37901 numMergedOcc 0
68 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 6.29785 9.36805 13.1853 6.27641 7.29758 8.67156 6.90155 numMergedOcc 0
69 mol 156 unq 1 iso 0 dist 7.44554 9.83699 8.38403 6.29785 9.36805 7.55203 6.27641 7.29758 4.53931 6.90155 numMergedOcc 0
70 mol 156 unq 2 iso 0 dist 8.94056 7.66148 10.1658 8.67156 6.27641 10.9818 13.1853 6.29785 15.7866 6.90155 numMergedOcc 0
71 mol 156 unq 3 iso 0 dist 9.83699 7.44554 8.38403 6.29785 7.55203 9.36805 6.27641 4.53931 7.29758 6.90155 numMergedOcc 0
72 mol 156 unq 4 iso 0 dist 9.83699 8.94056 11.2719 6.29785 7.55203 13.1853 6.27641 4.53931 8.67156 6.90155 numMergedOcc 0
73 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 11.0415 9.31887 12.816 9.8589 8.22779 10.5631 4.79852 numMergedOcc 0
74 mol 175 unq 1 iso 0 dist 9.0018 6.57069 8.16421 11.0415 9.31887 11.3137 9.8589 8.22779 7.5414 4.79852 numMergedOcc 0
75 mol 175 unq 2 iso 0 dist 9.0018 7.652 7.42466 8.22779 9.8589 7.24908 9.31887 11.0415 5.0384 4.79852 numMergedOcc 0
76 mol 175 unq 3 iso 0 dist 7.652 9.92231 6.2715 5.0384 9.31887 12.816 7.24908 8.22779 10.5631 4.79852 numMergedOcc 0
77 mol 175 unq 4 iso 0 dist 7.652 9.0018 7.42466 8.22779 7.24908 9.8589 9.31887 5.0384 11.0415 4.79852 numMergedOcc 0
78 mol 175 unq 5 iso 0 dist 5.6234 9.92231 7.42466 10.5631 9.8589 7.24908 12.816 11.0415 5.0384 4.79852 numMergedOcc 0
79 mol 175 unq 6 iso 0 dist 9.92231 5.6234 7.42466 10.5631 7.24908 9.8589 12.816 5.0384 11.0415 4.79852 numMergedOcc 0
80 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.25083 6.94688 12.1309 13.2702 8.25067 19.5806 8.20656 numMergedOcc 0
81 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 4.77278 6.71012 12.2058 13.2702 8.25067 19.5806 9.40622 numMergedOcc 0
82 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 5.86342 6.94688 14.4632 10.8351 8.25067 17.441 8.20656 numMergedOcc 0
83 mol 181 unq 3 iso 0 dist 5.98885 9.09537 10.1912 9.14057 6.71012 15.4777 10.8351 8.25067 17.441 9.40622 numMergedOcc 0
84 mol 181 unq 4 iso 0 dist 9.15386 9.1374 12.1628 8.25067 9.6668 13.2702 6.94688 6.80228 6.25083 8.20656 numMergedOcc 0
85 mol 181 unq 5 iso 0 dist 9.15386 9.1374 12.1628 8.25067 9.6668 13.2702 6.71012 11.6919 4.77278 9.40622 numMergedOcc 0
86 mol 181 unq 6 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 6.94688 6.80228 5.86342 8.20656 numMergedOcc 0
87 mol 181 unq 7 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 6.71012 11.6919 9.14057 9.40622 numMergedOcc 0
88 mol 224 unq 0 iso 0 dist 8.95269 6.57273 4.70378 9.36098 7.06793 10.0414 6.87664 7.98696 7.12232 8.89778 numMergedOcc 0
89 mol 224 unq 1 iso 0 dist 8.95269 6.57273 4.70378 5.29877 6.67585 6.65984 6.87664 7.98696 7.12232 9.47554 numMergedOcc 0
90 mol 224 unq 2 iso 0 dist 8.95269 5.78342 11.5372 9.36098 7.06793 12.7072 6.87664 7.98696 5.3621 8.89778 numMergedOcc 0
91 mol 224 unq 3 iso 0 dist 8.95269 5.78342 11.5372 5.29877 6.67585 10.667 6.87664 7.98696 5.3621 9.47554 numMergedOcc 0
92 mol 224 unq 4 iso 0 dist 6.57273 8.95269 4.70378 5.29877 6.65984 6.67585 6.87664 7.12232 7.98696 9.47554 numMergedOcc 0
93 mol 224 unq 5 iso 0 dist 6.57273 5.78342 8.49799 5.29877 6.65984 10.667 6.87664 7.12232 5.3621 9.47554 numMergedOcc 0
94 mol 224 unq 6 iso 0 dist 6.57273 6.60589 5.0744 7.12232 6.87664 10.8259 10.0414 9.36098 12.5195 8.89778 numMergedOcc 0
95 mol 224 unq 7 iso 0 dist 6.57273 6.60589 5.0744 7.12232 6.87664 10.8259 6.65984 5.29877 6.12232 9.47554 numMergedOcc 0
96 mol 224 unq 8 iso 0 dist 6.60589 6.65832 6.77699 6.12232 6.65984 11.0097 10.8259 7.12232 12.6949 9.47554 numMergedOcc 0
97 mol 224 unq 9 iso 0 dist 6.60589 9.16166 8.49799 6.12232 6.65984 10.667 10.8259 7.12232 5.3621 9.47554 numMergedOcc 0
98 mol 224 unq 10 iso 0 dist 5.78342 9.16166 5.0744 5.3621 6.87664 10.8259 12.7072 9.36098 12.5195 8.89778 numMergedOcc 0
99 mol 224 unq 11 iso 0 dist 5.78342 9.16166 5.0744 5.3621 6.87664 10.8259 10.667 5.29877 6.12232 9.47554 numMergedOcc 0
100 mol 224 unq 12 iso 0 dist 5.78342 5.81334 5.60236 5.3621 6.87664 10.2775 12.7072 9.36098 14.7761 8.89778 numMergedOcc 0
101 mol 224 unq 13 iso 0 dist 5.78342 5.81334 5.60236 5.3621 6.87664 10.2775 10.667 5.29877 10.449 9.47554 numMergedOcc 0
102 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 6.43754 8.17891 12.4085 12.3856 13.3557 14.7498 7.95168 numMergedOcc 0
103 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 12.3856 13.3557 8.8709 7.95168 numMergedOcc 0
104 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 6.43754 8.17891 11.004 12.3856 13.3557 12.0094 7.95168 numMergedOcc 0
105 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 12.3856 13.3557 15.5877 7.95168 numMergedOcc 0
106 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 14.6185 9.62609 17.0949 12.3856 8.8709 14.7498 6.152 numMergedOcc 0
107 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 6.43754 6.95902 12.4085 12.3856 8.8709 14.7498 7.95168 numMergedOcc 0
108 mol 227 unq 6 iso 0 dist 8.65997 7.22101 5.22356 14.6185 9.62609 13.4493 12.3856 8.8709 13.3557 6.152 numMergedOcc 0
109 mol 227 unq 7 iso 0 dist 8.65997 7.22101 5.22356 6.43754 6.95902 8.17891 12.3856 8.8709 13.3557 7.95168 numMergedOcc 0
110 mol 227 unq 8 iso 0 dist 8.65997 7.56888 9.70012 14.6185 9.62609 16.5207 12.3856 8.8709 12.0094 6.152 numMergedOcc 0
111 mol 227 unq 9 iso 0 dist 8.65997 7.56888 9.70012 6.43754 6.95902 11.004 12.3856 8.8709 12.0094 7.95168 numMergedOcc 0
112 mol 227 unq 10 iso 0 dist 8.65997 7.55216 12.9332 14.6185 9.62609 19.8174 12.3856 8.8709 15.5877 6.152 numMergedOcc 0
113 mol 227 unq 11 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 12.3856 8.8709 15.5877 7.95168 numMergedOcc 0
114 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 15.004 5.56749 10.6156 8.49841 numMergedOcc 0
115 mol 234 unq 1 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 17.6567 12.1076 15.0456 9.6101 numMergedOcc 0
116 mol 234 unq 2 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 10.8628 5.56749 10.6156 8.49841 numMergedOcc 0
117 mol 234 unq 3 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 12.6312 12.1076 15.0456 9.6101 numMergedOcc 0
118 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 9.38422 12.1252 8.82861 6.17025 numMergedOcc 0
119 mol 238 unq 1 iso 0 dist 7.31233 6.22714 5.34096 11.2717 7.02475 12.1784 9.38422 8.82861 12.1252 6.65088 numMergedOcc 0
120 mol 238 unq 2 iso 0 dist 7.31233 6.22714 5.34096 12.6986 7.67322 12.1937 9.38422 8.82861 12.1252 6.5772 numMergedOcc 0
121 mol 238 unq 3 iso 0 dist 7.31233 6.22714 5.34096 5.17471 7.19008 7.49471 9.38422 8.82861 12.1252 6.17025 numMergedOcc 0
