0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 9.23213 5.08793 10.4498 10.3034 10.9812 14.3013 6.3267 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 9.23213 10.4498 5.08793 10.3034 14.3013 10.9812 6.3267 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 7.12903 5.90976 5.51916 5.55659 10.2713 9.78051 8.96967 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 6.82505 9.97507 5.17568 7.12903 5.51916 5.90976 5.55659 9.78051 10.2713 8.96967 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 6.89191 12.1257 9.20119 8.59109 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 6.89191 9.20119 12.1257 8.59109 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 6.75888 10.335 6.40841 8.80108 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 6.75888 6.40841 10.335 8.80108 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 6.75888 10.335 6.31428 8.80108 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 6.75888 6.31428 10.335 8.80108 numMergedOcc 0
10 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
11 mol 58 unq 1 iso 1 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 6.75888 6.31428 6.40841 8.80108 numMergedOcc 0
12 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
13 mol 58 unq 2 iso 1 dist 6.62496 6.86465 5.30792 9.58673 10.2241 5.92889 6.47744 11.5023 8.63333 7.01363 numMergedOcc 0
14 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
15 mol 58 unq 3 iso 1 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 6.47744 8.89374 8.63333 7.01363 numMergedOcc 0
16 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 9.58673 10.2241 7.05413 6.47744 11.5023 8.89374 7.01363 numMergedOcc 0
17 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 6.47744 8.89374 11.5023 7.01363 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 7.02095 9.89984 11.3177 6.96494 numMergedOcc 0
19 mol 58 unq 4 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 7.02095 11.3177 9.89984 6.96494 numMergedOcc 0
20 mol 58 unq 5 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 8.94672 10.9283 16.3779 7.01363 numMergedOcc 0
21 mol 58 unq 5 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 8.94672 16.3779 10.9283 7.01363 numMergedOcc 0
22 mol 58 unq 6 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 10.3782 13.7148 8.26899 8.80108 numMergedOcc 0
23 mol 58 unq 6 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 10.3782 8.26899 13.7148 8.80108 numMergedOcc 0
24 mol 58 unq 7 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 7.02095 9.89984 11.3177 6.50297 numMergedOcc 0
25 mol 58 unq 7 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 7.02095 11.3177 9.89984 6.50297 numMergedOcc 0
26 mol 59 unq 0 iso 0 dist 6.85766 7.71095 10.0246 6.71911 7.29033 5.33688 5.3525 10.6318 8.24062 6.5096 numMergedOcc 0
27 mol 59 unq 0 iso 1 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 5.3525 8.24062 10.6318 6.5096 numMergedOcc 0
28 mol 59 unq 1 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
29 mol 59 unq 1 iso 1 dist 8.84665 7.71095 12.5396 8.24062 11.0387 5.3525 5.33688 12.8699 6.71911 6.5096 numMergedOcc 0
30 mol 59 unq 2 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
31 mol 59 unq 2 iso 1 dist 8.25513 7.71095 8.19458 8.24062 9.15805 5.3525 5.33688 11.6249 6.71911 6.5096 numMergedOcc 0
32 mol 59 unq 2 iso 0 dist 8.84665 8.25513 6.40295 8.24062 11.0387 9.15805 5.33688 12.8699 11.6249 6.5096 numMergedOcc 0
33 mol 59 unq 2 iso 1 dist 8.25513 8.84665 6.40295 8.24062 9.15805 11.0387 5.33688 11.6249 12.8699 6.5096 numMergedOcc 0
34 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 6.77912 12.0644 7.11552 9.0131 13.3133 7.321 9.19459 numMergedOcc 0
35 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 9.0131 7.321 13.3133 9.19459 numMergedOcc 0
36 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
37 mol 72 unq 1 iso 1 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 7.11552 11.9814 6.77912 9.19459 numMergedOcc 0
38 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 7.17489 10.4676 13.3943 8.59747 numMergedOcc 0
39 mol 72 unq 2 iso 1 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 7.17489 13.3943 10.4676 8.59747 numMergedOcc 0
40 mol 115 unq 0 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
41 mol 115 unq 0 iso 1 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 10.7942 12.9821 7.76729 6.40036 numMergedOcc 0
42 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 6.34759 12.0409 11.8557 7.99631 numMergedOcc 0
43 mol 115 unq 1 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 6.34759 11.8557 12.0409 7.99631 numMergedOcc 0
44 mol 115 unq 2 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
45 mol 115 unq 2 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.2377 12.2309 7.64585 6.40036 numMergedOcc 0
46 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 4.77464 11.7714 9.81878 6.3244 numMergedOcc 0
47 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 4.77464 9.81878 11.7714 6.3244 numMergedOcc 0
48 mol 133 unq 0 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 11.8989 14.0449 19.3117 9.94276 numMergedOcc 0
49 mol 133 unq 0 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.8989 19.3117 14.0449 9.94276 numMergedOcc 0
50 mol 133 unq 1 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 15.0734 13.5624 20.5979 9.05357 numMergedOcc 0
51 mol 133 unq 1 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 15.0734 20.5979 13.5624 9.05357 numMergedOcc 0
52 mol 133 unq 2 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 9.58627 9.65709 16.126 5.99299 numMergedOcc 0
53 mol 133 unq 2 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 9.58627 16.126 9.65709 5.99299 numMergedOcc 0
54 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
55 mol 155 unq 0 iso 1 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 6.3845 9.14392 7.16254 6.51096 numMergedOcc 0
56 mol 155 unq 1 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
57 mol 155 unq 1 iso 1 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 6.3437 12.2465 9.17284 6.51096 numMergedOcc 0
58 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 9.99927 13.2459 15.1841 8.73171 numMergedOcc 0
59 mol 155 unq 2 iso 1 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 9.99927 15.1841 13.2459 8.73171 numMergedOcc 0
60 mol 155 unq 3 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 8.27726 12.1081 7.36102 7.37901 numMergedOcc 0
61 mol 155 unq 3 iso 1 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 8.27726 7.36102 12.1081 7.37901 numMergedOcc 0
62 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
63 mol 156 unq 0 iso 1 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 6.29785 13.1853 9.36805 6.90155 numMergedOcc 0
64 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
65 mol 156 unq 1 iso 1 dist 9.83699 7.44554 8.38403 6.27641 4.53931 7.29758 6.29785 7.55203 9.36805 6.90155 numMergedOcc 0
66 mol 156 unq 1 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 6.29785 13.1853 7.55203 6.90155 numMergedOcc 0
67 mol 156 unq 1 iso 1 dist 9.83699 8.94056 11.2719 6.27641 4.53931 8.67156 6.29785 7.55203 13.1853 6.90155 numMergedOcc 0
68 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
69 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 11.0415 12.816 9.31887 4.79852 numMergedOcc 0
70 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
71 mol 175 unq 1 iso 1 dist 6.57069 9.0018 8.16421 9.8589 7.5414 8.22779 11.0415 11.3137 9.31887 4.79852 numMergedOcc 0
72 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
73 mol 175 unq 2 iso 1 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 8.22779 7.24908 9.8589 4.79852 numMergedOcc 0
74 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
75 mol 175 unq 3 iso 1 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 5.0384 12.816 9.31887 4.79852 numMergedOcc 0
76 mol 175 unq 1 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 11.0415 12.816 11.3137 4.79852 numMergedOcc 0
77 mol 175 unq 1 iso 1 dist 6.57069 5.6234 5.35493 9.8589 7.5414 10.5631 11.0415 11.3137 12.816 4.79852 numMergedOcc 0
78 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 8.25067 13.2702 10.8351 8.20656 numMergedOcc 0
79 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 8.25067 10.8351 13.2702 8.20656 numMergedOcc 0
80 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 8.25067 13.2702 10.8351 9.40622 numMergedOcc 0
81 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 8.25067 10.8351 13.2702 9.40622 numMergedOcc 0
82 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 8.25067 13.2702 9.6668 8.20656 numMergedOcc 0
83 mol 181 unq 2 iso 1 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 8.25067 9.6668 13.2702 8.20656 numMergedOcc 0
84 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 8.25067 13.2702 9.6668 9.40622 numMergedOcc 0
85 mol 181 unq 3 iso 1 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 8.25067 9.6668 13.2702 9.40622 numMergedOcc 0
86 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 8.25067 10.8351 9.6668 8.20656 numMergedOcc 0
87 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 8.25067 9.6668 10.8351 8.20656 numMergedOcc 0
88 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 8.25067 10.8351 9.6668 9.40622 numMergedOcc 0
89 mol 181 unq 3 iso 1 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 8.25067 9.6668 10.8351 9.40622 numMergedOcc 0
90 mol 224 unq 0 iso 0 dist 9.40098 6.61986 9.54151 8.19953 8.64911 10.7113 7.67202 11.1518 12.6391 4.55996 numMergedOcc 0
91 mol 224 unq 0 iso 1 dist 6.61986 9.40098 9.54151 8.19953 10.7113 8.64911 7.67202 12.6391 11.1518 4.55996 numMergedOcc 0
92 mol 224 unq 1 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
93 mol 224 unq 1 iso 1 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 9.36098 10.0414 7.06793 8.89778 numMergedOcc 0
94 mol 224 unq 2 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
95 mol 224 unq 2 iso 1 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 5.29877 6.65984 6.67585 9.47554 numMergedOcc 0
96 mol 224 unq 3 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
97 mol 224 unq 3 iso 1 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 9.36098 12.7072 7.06793 8.89778 numMergedOcc 0
98 mol 224 unq 4 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
99 mol 224 unq 4 iso 1 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.29877 10.667 6.67585 9.47554 numMergedOcc 0
100 mol 224 unq 3 iso 0 dist 6.57273 5.78342 8.49799 6.87664 7.12232 5.3621 9.36098 10.0414 12.7072 8.89778 numMergedOcc 0
101 mol 224 unq 3 iso 1 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 9.36098 12.7072 10.0414 8.89778 numMergedOcc 0
102 mol 224 unq 4 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
103 mol 224 unq 4 iso 1 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.29877 10.667 6.65984 9.47554 numMergedOcc 0
104 mol 224 unq 5 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
105 mol 224 unq 5 iso 1 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 7.12232 10.8259 6.87664 9.47554 numMergedOcc 0
106 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 13.3557 12.3856 16.1617 7.95168 numMergedOcc 0
107 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 13.3557 16.1617 12.3856 7.95168 numMergedOcc 0
108 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 5.56749 15.004 10.8628 8.49841 numMergedOcc 0
109 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 5.56749 10.8628 15.004 8.49841 numMergedOcc 0
110 mol 234 unq 1 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 12.1076 17.6567 12.6312 9.6101 numMergedOcc 0
111 mol 234 unq 1 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 12.1076 12.6312 17.6567 9.6101 numMergedOcc 0
112 mol 234 unq 2 iso 0 dist 8.41436 8.92474 8.62358 6.16063 11.3297 10.2563 5.9221 13.651 10.521 8.49841 numMergedOcc 0
113 mol 234 unq 2 iso 1 dist 8.92474 8.41436 8.62358 6.16063 10.2563 11.3297 5.9221 10.521 13.651 8.49841 numMergedOcc 0
