0 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 5.01321 10.2713 8.96967 10.4158 5.17568 5.51916 9.78051 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.97507 7.12903 5.90976 5.55659 10.2713 8.96967 6.82505 5.17568 5.51916 9.78051 numMergedOcc 0
2 mol 15 unq 2 iso 0 dist 6.82505 9.78051 5.55659 5.51916 7.12903 8.96967 10.4158 9.03536 5.01321 8.21493 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 9.01651 12.1257 8.59109 11.2563 8.81358 5.67689 9.20119 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 6.89191 12.1257 8.59109 7.58835 8.81358 5.67689 9.20119 numMergedOcc 0
5 mol 45 unq 2 iso 0 dist 7.58835 9.20119 6.89191 5.67689 6.34173 8.59109 11.2563 5.24762 9.01651 7.06308 numMergedOcc 0
6 mol 45 unq 3 iso 0 dist 7.58835 9.20119 6.89191 5.67689 6.34173 8.59109 11.5838 5.101 5.54436 9.43442 numMergedOcc 0
7 mol 45 unq 4 iso 0 dist 7.58835 9.20119 6.89191 16.2375 14.4997 8.13782 15.0348 13.7975 7.39653 6.99408 numMergedOcc 0
8 mol 45 unq 5 iso 0 dist 7.58835 9.20119 6.89191 16.2375 14.4997 8.13782 19.2693 15.685 10.6095 9.3403 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 6.75888 10.335 8.80108 7.32874 5.47421 4.55117 6.40841 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.81627 8.26899 5.98837 6.75888 10.335 8.80108 13.4544 15.6564 14.7581 7.58407 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 6.81627 8.26899 5.98837 6.75888 10.335 8.80108 9.55426 9.7274 10.3782 6.31428 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 13.4544 11.0466 14.7581 7.58407 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 9.55426 5.90225 10.3782 6.31428 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 7.32874 6.40841 6.75888 4.55117 8.26899 8.80108 10.1508 7.08557 6.78077 9.33535 numMergedOcc 0
15 mol 58 unq 6 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 6.35756 5.35073 7.05413 8.89374 numMergedOcc 0
16 mol 58 unq 7 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 10.3224 10.8153 6.61756 6.46761 numMergedOcc 0
17 mol 58 unq 8 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 15.4557 14.5953 8.94672 9.73139 numMergedOcc 0
18 mol 58 unq 9 iso 0 dist 6.62496 9.58673 10.2241 6.47744 11.5023 7.01363 6.86465 5.30792 5.92889 8.63333 numMergedOcc 0
19 mol 58 unq 10 iso 0 dist 6.62496 9.58673 10.2241 6.47744 11.5023 7.01363 6.35756 4.81926 7.05413 8.89374 numMergedOcc 0
20 mol 58 unq 11 iso 0 dist 6.62496 9.58673 10.2241 6.47744 11.5023 7.01363 10.3224 13.1243 6.61756 6.46761 numMergedOcc 0
21 mol 58 unq 12 iso 0 dist 6.62496 9.58673 10.2241 6.47744 11.5023 7.01363 15.4557 18.3276 8.94672 9.73139 numMergedOcc 0
22 mol 58 unq 13 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 6.86465 5.35073 5.92889 8.63333 numMergedOcc 0
23 mol 58 unq 14 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 10.3224 8.62958 6.61756 6.46761 numMergedOcc 0
24 mol 58 unq 15 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 15.4557 14.176 8.94672 9.73139 numMergedOcc 0
25 mol 58 unq 16 iso 0 dist 6.64012 6.46761 5.24906 6.61756 10.9283 7.01363 10.3224 9.94737 6.47744 9.58673 numMergedOcc 0
26 mol 58 unq 17 iso 0 dist 6.64012 7.58407 5.11205 14.7581 13.7148 8.80108 13.9483 8.84991 6.78077 9.33535 numMergedOcc 0
27 mol 58 unq 18 iso 0 dist 6.64012 7.58407 5.11205 14.7581 13.7148 8.80108 13.4544 10.6169 6.75888 8.26899 numMergedOcc 0
28 mol 58 unq 19 iso 0 dist 9.4099 9.73139 5.24906 8.94672 10.9283 7.01363 15.4557 9.94737 6.47744 9.58673 numMergedOcc 0
29 mol 58 unq 20 iso 0 dist 9.4099 6.31428 5.11205 10.3782 13.7148 8.80108 12.7357 8.84991 6.78077 9.33535 numMergedOcc 0
30 mol 58 unq 21 iso 0 dist 9.4099 6.31428 5.11205 10.3782 13.7148 8.80108 9.55426 10.6169 6.75888 8.26899 numMergedOcc 0
31 mol 58 unq 22 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 7.32874 5.90225 4.55117 6.40841 numMergedOcc 0
32 mol 58 unq 23 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 13.4544 6.47414 14.7581 7.58407 numMergedOcc 0
33 mol 58 unq 24 iso 0 dist 9.55426 9.73139 13.1021 8.94672 16.3779 7.01363 15.4557 19.4068 6.47744 9.58673 numMergedOcc 0
34 mol 58 unq 25 iso 0 dist 9.55426 6.31428 6.75888 10.3782 8.26899 8.80108 12.7357 7.08557 6.78077 9.33535 numMergedOcc 0
35 mol 59 unq 0 iso 0 dist 6.85766 6.71911 7.29033 5.3525 10.6318 6.5096 7.71095 10.0246 5.33688 8.24062 numMergedOcc 0
36 mol 59 unq 1 iso 0 dist 8.84665 8.24062 11.0387 5.33688 12.8699 6.5096 7.71095 12.5396 5.3525 6.71911 numMergedOcc 0
37 mol 59 unq 2 iso 0 dist 8.25513 8.24062 9.15805 5.33688 11.6249 6.5096 7.71095 8.19458 5.3525 6.71911 numMergedOcc 0
38 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 9.0131 13.3133 9.19459 9.96708 10.7394 7.11552 7.321 numMergedOcc 0
39 mol 72 unq 1 iso 0 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 10.8086 5.36766 6.00418 8.624 numMergedOcc 0
40 mol 72 unq 2 iso 0 dist 9.78528 7.321 6.11922 7.11552 11.9814 9.19459 10.8086 7.04035 6.00418 8.624 numMergedOcc 0
41 mol 72 unq 3 iso 0 dist 9.78528 7.321 6.11922 7.11552 11.9814 9.19459 9.96708 8.24309 9.0131 6.77912 numMergedOcc 0
42 mol 114 unq 0 iso 0 dist 7.5732 8.71128 5.80557 9.2907 11.641 7.36816 10.1937 8.94198 4.77056 8.68821 numMergedOcc 0
43 mol 114 unq 1 iso 0 dist 7.5732 8.71128 5.80557 9.2907 11.641 7.36816 12.4727 9.91282 5.31865 7.12609 numMergedOcc 0
44 mol 114 unq 2 iso 0 dist 7.35754 8.68821 5.33327 4.77056 7.52743 7.36816 10.1937 5.59517 9.2907 8.71128 numMergedOcc 0
45 mol 114 unq 3 iso 0 dist 7.35754 7.52743 4.77056 5.33327 8.68821 7.36816 10.473 8.66412 5.31865 7.12609 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 5.83991 7.76729 10.9739 10.2377 12.2309 6.40036 9.33865 7.69052 10.7942 7.64585 numMergedOcc 0
47 mol 115 unq 1 iso 0 dist 6.11741 7.64585 10.8939 10.7942 12.9821 6.40036 9.33865 8.02349 10.2377 7.76729 numMergedOcc 0
48 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 4.77464 11.7714 6.3244 9.30299 7.30196 14.085 9.81878 numMergedOcc 0
49 mol 127 unq 1 iso 0 dist 9.30299 9.81878 4.77464 14.085 8.59981 6.3244 17.6472 11.279 8.00931 6.192 numMergedOcc 0
50 mol 127 unq 2 iso 0 dist 9.30299 9.81878 4.77464 14.085 8.59981 6.3244 15.0647 11.4958 6.85862 7.69308 numMergedOcc 0
51 mol 127 unq 3 iso 0 dist 9.30299 9.81878 4.77464 14.085 8.59981 6.3244 14.7391 5.55757 7.11695 7.66331 numMergedOcc 0
52 mol 155 unq 0 iso 0 dist 6.23493 9.17284 4.9093 6.3845 7.16254 6.51096 7.46303 5.71071 6.3437 9.14392 numMergedOcc 0
53 mol 155 unq 1 iso 0 dist 6.23493 7.16254 6.3845 4.9093 9.17284 6.51096 12.1555 10.6882 5.48883 9.87281 numMergedOcc 0
54 mol 155 unq 2 iso 0 dist 6.23493 7.16254 6.3845 4.9093 9.17284 6.51096 11.6934 12.1545 5.77564 8.87452 numMergedOcc 0
55 mol 155 unq 3 iso 0 dist 6.23493 7.16254 6.3845 10.7896 13.2459 8.73171 12.1555 10.6882 5.48883 8.27111 numMergedOcc 0
56 mol 155 unq 4 iso 0 dist 6.23493 7.16254 6.3845 10.7896 13.2459 8.73171 11.6934 12.1545 5.77564 7.68368 numMergedOcc 0
57 mol 155 unq 5 iso 0 dist 6.23493 9.86313 5.86939 13.5062 12.1081 7.37901 13.5605 10.7349 5.40375 7.39644 numMergedOcc 0
58 mol 155 unq 6 iso 0 dist 6.23493 9.86313 5.86939 13.5062 12.1081 7.37901 10.2463 7.66392 6.34186 7.36102 numMergedOcc 0
59 mol 155 unq 7 iso 0 dist 7.46303 9.17284 6.3437 6.3845 9.14392 6.51096 6.23493 5.71071 4.9093 7.16254 numMergedOcc 0
60 mol 155 unq 8 iso 0 dist 7.46303 9.14392 6.3845 6.3437 9.17284 6.51096 12.3052 10.6882 5.48883 9.87281 numMergedOcc 0
61 mol 155 unq 9 iso 0 dist 7.46303 9.14392 6.3845 6.3437 9.17284 6.51096 13.4817 12.1545 5.77564 8.87452 numMergedOcc 0
62 mol 155 unq 10 iso 0 dist 7.46303 9.14392 6.3845 9.99927 13.2459 8.73171 12.3052 10.6882 5.48883 8.27111 numMergedOcc 0
63 mol 155 unq 11 iso 0 dist 7.46303 9.14392 6.3845 9.99927 13.2459 8.73171 13.4817 12.1545 5.77564 7.68368 numMergedOcc 0
64 mol 155 unq 12 iso 0 dist 7.46303 7.51198 5.86939 8.27726 12.1081 7.37901 10.7829 10.7349 5.40375 7.39644 numMergedOcc 0
65 mol 155 unq 13 iso 0 dist 7.46303 7.51198 5.86939 8.27726 12.1081 7.37901 6.43582 7.66392 6.34186 7.36102 numMergedOcc 0
66 mol 155 unq 14 iso 0 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 10.2463 5.71071 13.5062 9.86313 numMergedOcc 0
67 mol 155 unq 15 iso 0 dist 6.43582 9.14392 12.1814 6.3437 12.2465 6.51096 7.46303 7.66392 6.3845 9.17284 numMergedOcc 0
68 mol 155 unq 16 iso 0 dist 6.43582 9.14392 12.1814 6.3437 12.2465 6.51096 12.3052 14.7007 5.48883 9.87281 numMergedOcc 0
69 mol 155 unq 17 iso 0 dist 6.43582 9.14392 12.1814 6.3437 12.2465 6.51096 13.4817 17.3001 5.77564 8.87452 numMergedOcc 0
70 mol 155 unq 18 iso 0 dist 6.43582 9.14392 12.1814 9.99927 15.1841 8.73171 12.3052 14.7007 5.48883 8.27111 numMergedOcc 0
71 mol 155 unq 19 iso 0 dist 6.43582 9.14392 12.1814 9.99927 15.1841 8.73171 13.4817 17.3001 5.77564 7.68368 numMergedOcc 0
72 mol 155 unq 20 iso 0 dist 6.43582 7.51198 6.34186 8.27726 7.36102 7.37901 10.7829 10.7616 5.40375 7.39644 numMergedOcc 0
73 mol 156 unq 0 iso 0 dist 7.44554 6.27641 7.29758 6.29785 9.36805 6.90155 10.4649 5.76755 9.30783 8.47155 numMergedOcc 0
74 mol 156 unq 1 iso 0 dist 7.44554 6.27641 7.29758 6.29785 9.36805 6.90155 9.83699 8.38403 4.53931 7.55203 numMergedOcc 0
75 mol 156 unq 2 iso 0 dist 8.94056 6.27641 8.67156 6.29785 13.1853 6.90155 10.4649 11.1775 9.30783 8.47155 numMergedOcc 0
76 mol 156 unq 3 iso 0 dist 8.94056 6.27641 8.67156 6.29785 13.1853 6.90155 7.44554 5.56175 7.29758 9.36805 numMergedOcc 0
77 mol 156 unq 4 iso 0 dist 8.94056 6.27641 8.67156 6.29785 13.1853 6.90155 9.83699 11.2719 4.53931 7.55203 numMergedOcc 0
78 mol 156 unq 5 iso 0 dist 9.83699 6.27641 4.53931 6.29785 7.55203 6.90155 10.4649 7.60354 9.30783 8.47155 numMergedOcc 0
79 mol 156 unq 6 iso 0 dist 9.83699 6.27641 4.53931 6.29785 7.55203 6.90155 7.44554 8.38403 7.29758 9.36805 numMergedOcc 0
80 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 7.652 7.42466 5.0384 7.24908 numMergedOcc 0
81 mol 175 unq 1 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 9.0018 7.42466 11.0415 9.8589 numMergedOcc 0
82 mol 175 unq 2 iso 0 dist 5.6234 9.8589 10.5631 11.0415 12.816 4.79852 9.0018 6.2715 8.22779 9.31887 numMergedOcc 0
83 mol 175 unq 3 iso 0 dist 9.92231 7.24908 10.5631 5.0384 12.816 4.79852 7.652 6.2715 8.22779 9.31887 numMergedOcc 0
84 mol 175 unq 4 iso 0 dist 6.57069 9.8589 7.5414 11.0415 11.3137 4.79852 9.0018 8.16421 8.22779 9.31887 numMergedOcc 0
85 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 8.25067 13.2702 8.20656 9.15386 12.1628 6.80228 9.6668 numMergedOcc 0
86 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 8.25067 13.2702 9.40622 9.15386 12.1628 11.6919 9.6668 numMergedOcc 0
87 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 8.25067 10.8351 8.20656 9.15386 5.16002 6.80228 9.6668 numMergedOcc 0
88 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 8.25067 10.8351 9.40622 9.15386 5.16002 11.6919 9.6668 numMergedOcc 0
89 mol 224 unq 0 iso 0 dist 8.95269 6.87664 7.98696 5.29877 6.67585 9.47554 6.57273 4.70378 7.12232 6.65984 numMergedOcc 0
90 mol 224 unq 1 iso 0 dist 6.57273 6.87664 7.12232 9.36098 10.0414 8.89778 8.95269 4.70378 7.98696 7.06793 numMergedOcc 0
91 mol 224 unq 2 iso 0 dist 6.57273 6.87664 7.12232 5.29877 6.65984 9.47554 8.95269 4.70378 7.98696 6.67585 numMergedOcc 0
92 mol 224 unq 3 iso 0 dist 6.60589 6.65984 6.12232 7.12232 10.8259 9.47554 6.57273 5.0744 5.29877 6.87664 numMergedOcc 0
93 mol 224 unq 4 iso 0 dist 5.78342 6.87664 5.3621 9.36098 12.7072 8.89778 8.95269 11.5372 7.98696 7.06793 numMergedOcc 0
94 mol 224 unq 5 iso 0 dist 5.78342 6.87664 5.3621 5.29877 10.667 9.47554 8.95269 11.5372 7.98696 6.67585 numMergedOcc 0
95 mol 224 unq 6 iso 0 dist 5.78342 6.87664 5.3621 5.29877 10.667 9.47554 6.57273 8.49799 7.12232 6.65984 numMergedOcc 0
96 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 5.56749 15.004 8.49841 10.3625 19.022 5.9221 6.16063 numMergedOcc 0
97 mol 234 unq 1 iso 0 dist 6.7625 9.5707 14.4106 5.56749 10.8628 8.49841 10.3625 16.0265 5.9221 6.16063 numMergedOcc 0
98 mol 234 unq 2 iso 0 dist 8.41436 6.16063 11.3297 5.9221 13.651 8.49841 10.3625 16.814 5.56749 9.5707 numMergedOcc 0
99 mol 234 unq 3 iso 0 dist 8.92474 6.16063 10.2563 5.9221 10.521 8.49841 10.3625 14.1297 5.56749 9.5707 numMergedOcc 0
100 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 10.6981 10.7117 7.27958 11.3258 9.89669 6.43692 5.65339 numMergedOcc 0
