0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 13.2247 12.2333 9.36807 5.03847 10.3148 9.97624 13.8829 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 13.2247 10.5461 6.36911 13.8829 8.72114 9.97624 5.03847 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 10.8007 15.679 6.00439 15.119 19.7849 9.85134 4.42145 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 10.8007 15.679 6.00439 4.97119 10.741 5.82366 6.42867 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 7.67038 10.4091 6.20943 15.119 19.7849 9.85134 10.943 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 7.20519 7.82528 10.4988 7.67038 10.4091 6.20943 4.97119 10.741 5.82366 4.64838 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 7.20519 9.80108 5.5841 7.07775 6.864 8.58657 9.32205 10.3056 8.19695 13.0631 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 7.20519 9.80108 5.5841 7.07775 6.864 8.58657 4.96411 7.75618 7.02548 7.08342 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 8.4674 6.20943 5.14627 7.83352 9.78944 6.00439 10.943 14.129 9.85134 4.42145 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 8.4674 6.20943 5.14627 7.83352 9.78944 6.00439 4.64838 6.41575 5.82366 6.42867 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 10.943 14.129 9.85134 15.119 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 4.64838 6.41575 5.82366 4.97119 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 4.54938 7.82528 5.14627 10.8007 9.78944 6.00439 15.119 14.129 9.85134 4.42145 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 4.54938 7.82528 5.14627 10.8007 9.78944 6.00439 4.97119 6.41575 5.82366 6.42867 numMergedOcc 0
14 mol 19 unq 12 iso 0 dist 4.54938 7.82528 5.14627 7.67038 8.4674 6.20943 15.119 14.129 9.85134 10.943 numMergedOcc 0
15 mol 19 unq 13 iso 0 dist 4.54938 7.82528 5.14627 7.67038 8.4674 6.20943 4.97119 6.41575 5.82366 4.64838 numMergedOcc 0
16 mol 19 unq 14 iso 0 dist 4.51865 6.20943 4.69858 7.83352 9.56313 6.00439 10.943 13.212 9.85134 4.42145 numMergedOcc 0
17 mol 19 unq 15 iso 0 dist 4.51865 6.20943 4.69858 7.83352 9.56313 6.00439 4.64838 6.41423 5.82366 6.42867 numMergedOcc 0
18 mol 19 unq 16 iso 0 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 10.943 13.212 9.85134 15.119 numMergedOcc 0
19 mol 19 unq 17 iso 0 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 4.64838 6.41423 5.82366 4.97119 numMergedOcc 0
20 mol 19 unq 18 iso 0 dist 4.51865 8.58657 6.74265 7.07775 10.4091 9.80108 13.0631 13.287 8.19695 9.32205 numMergedOcc 0
21 mol 19 unq 19 iso 0 dist 4.51865 8.58657 6.74265 7.07775 10.4091 9.80108 7.08342 8.40416 7.02548 4.96411 numMergedOcc 0
22 mol 19 unq 20 iso 0 dist 6.864 7.82528 4.69858 10.8007 9.56313 6.00439 15.119 13.212 9.85134 4.42145 numMergedOcc 0
23 mol 19 unq 21 iso 0 dist 6.864 7.82528 4.69858 10.8007 9.56313 6.00439 4.97119 6.41423 5.82366 6.42867 numMergedOcc 0
24 mol 19 unq 22 iso 0 dist 6.864 7.82528 4.69858 7.67038 4.51865 6.20943 15.119 13.212 9.85134 10.943 numMergedOcc 0
25 mol 19 unq 23 iso 0 dist 6.864 7.82528 4.69858 7.67038 4.51865 6.20943 4.97119 6.41423 5.82366 4.64838 numMergedOcc 0
26 mol 19 unq 24 iso 0 dist 6.864 8.58657 5.5841 7.07775 7.20519 9.80108 13.0631 10.3056 8.19695 9.32205 numMergedOcc 0
27 mol 19 unq 25 iso 0 dist 6.864 8.58657 5.5841 7.07775 7.20519 9.80108 7.08342 7.75618 7.02548 4.96411 numMergedOcc 0
28 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 11.0466 13.4544 7.58407 7.12541 7.21955 8.71468 11.387 numMergedOcc 0
29 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 5.90225 9.55426 6.31428 7.12541 7.21955 8.71468 5.74871 numMergedOcc 0
30 mol 58 unq 2 iso 0 dist 6.86465 8.63333 6.47744 5.35073 6.35756 8.89374 10.2049 8.80614 9.11258 5.49591 numMergedOcc 0
31 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 10.8153 10.3224 6.46761 10.2049 8.80614 9.11258 5.85698 numMergedOcc 0
32 mol 58 unq 4 iso 0 dist 6.86465 8.63333 6.47744 14.5953 15.4557 9.73139 10.2049 8.80614 9.11258 12.2123 numMergedOcc 0
33 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 5.35073 6.86465 8.63333 5.49591 8.80614 9.11258 10.2049 numMergedOcc 0
34 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 8.62958 10.3224 6.46761 5.49591 8.80614 9.11258 5.85698 numMergedOcc 0
35 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 14.176 15.4557 9.73139 5.49591 8.80614 9.11258 12.2123 numMergedOcc 0
36 mol 58 unq 8 iso 0 dist 6.64012 6.46761 5.24906 10.8153 13.497 8.63333 5.85698 9.86039 9.11258 10.2049 numMergedOcc 0
37 mol 58 unq 9 iso 0 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 5.85698 9.86039 9.11258 5.49591 numMergedOcc 0
38 mol 58 unq 10 iso 0 dist 6.64012 6.46761 5.24906 6.47414 9.4099 9.73139 5.85698 9.86039 9.11258 12.2123 numMergedOcc 0
39 mol 58 unq 11 iso 0 dist 6.64012 7.58407 5.11205 11.0466 11.396 6.40841 11.387 12.3035 8.71468 7.12541 numMergedOcc 0
40 mol 58 unq 12 iso 0 dist 6.64012 7.58407 5.11205 6.47414 9.4099 6.31428 11.387 12.3035 8.71468 5.74871 numMergedOcc 0
41 mol 58 unq 13 iso 0 dist 9.4099 9.73139 5.24906 14.5953 13.497 8.63333 12.2123 9.86039 9.11258 10.2049 numMergedOcc 0
42 mol 58 unq 14 iso 0 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 12.2123 9.86039 9.11258 5.49591 numMergedOcc 0
43 mol 58 unq 15 iso 0 dist 9.4099 9.73139 5.24906 6.47414 6.64012 6.46761 12.2123 9.86039 9.11258 5.85698 numMergedOcc 0
44 mol 58 unq 16 iso 0 dist 9.4099 6.31428 5.11205 5.90225 11.396 6.40841 5.74871 12.3035 8.71468 7.12541 numMergedOcc 0
45 mol 58 unq 17 iso 0 dist 9.4099 6.31428 5.11205 6.47414 6.64012 7.58407 5.74871 12.3035 8.71468 11.387 numMergedOcc 0
46 mol 58 unq 18 iso 0 dist 9.55426 9.73139 13.1021 14.5953 20.7459 8.63333 12.2123 18.8985 9.11258 10.2049 numMergedOcc 0
47 mol 58 unq 19 iso 0 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 12.2123 18.8985 9.11258 5.49591 numMergedOcc 0
48 mol 58 unq 20 iso 0 dist 9.55426 9.73139 13.1021 6.47414 13.4544 6.46761 12.2123 18.8985 9.11258 5.85698 numMergedOcc 0
49 mol 58 unq 21 iso 0 dist 9.55426 6.31428 6.75888 5.90225 7.32874 6.40841 5.74871 7.21955 8.71468 7.12541 numMergedOcc 0
50 mol 58 unq 22 iso 0 dist 9.55426 6.31428 6.75888 6.47414 13.4544 7.58407 5.74871 7.21955 8.71468 11.387 numMergedOcc 0
51 mol 64 unq 0 iso 0 dist 9.67592 8.68586 5.3948 10.6748 14.5656 9.54144 6.21578 9.97159 9.32552 11.4485 numMergedOcc 0
52 mol 70 unq 0 iso 0 dist 9.65964 7.92394 6.65811 5.22626 10.1773 8.33704 8.34216 14.4968 9.48582 6.50609 numMergedOcc 0
53 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 7.4697 8.9232 5.64598 5.11416 13.8696 7.10439 8.44406 numMergedOcc 0
54 mol 73 unq 1 iso 0 dist 9.38498 8.70133 13.4082 5.4148 10.2049 4.65521 5.11416 13.8696 7.10439 6.56633 numMergedOcc 0
55 mol 73 unq 2 iso 0 dist 5.93252 5.64598 9.77992 7.4697 13.1662 8.70133 8.44406 13.6162 7.10439 5.11416 numMergedOcc 0
56 mol 73 unq 3 iso 0 dist 5.93252 5.64598 9.77992 5.7113 11.379 4.65521 8.44406 13.6162 7.10439 6.56633 numMergedOcc 0
57 mol 73 unq 4 iso 0 dist 9.96396 8.70133 7.41074 7.4697 11.4799 5.64598 5.11416 9.24757 7.10439 8.44406 numMergedOcc 0
58 mol 73 unq 5 iso 0 dist 9.96396 8.70133 7.41074 5.4148 6.19304 4.65521 5.11416 9.24757 7.10439 6.56633 numMergedOcc 0
59 mol 73 unq 6 iso 0 dist 6.19304 4.65521 7.41074 5.4148 9.96396 8.70133 6.56633 9.24757 7.10439 5.11416 numMergedOcc 0
60 mol 73 unq 7 iso 0 dist 6.19304 4.65521 7.41074 5.7113 11.4799 5.64598 6.56633 9.24757 7.10439 8.44406 numMergedOcc 0
61 mol 73 unq 8 iso 0 dist 9.75218 8.70133 15.9882 7.4697 16.0453 5.64598 5.11416 13.0145 7.10439 8.44406 numMergedOcc 0
62 mol 73 unq 9 iso 0 dist 9.75218 8.70133 15.9882 5.4148 11.6369 4.65521 5.11416 13.0145 7.10439 6.56633 numMergedOcc 0
63 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 5.02055 11.862 7.06013 8.55834 10.5753 7.1539 8.51055 numMergedOcc 0
64 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 5.02055 11.862 7.06013 9.50382 6.95572 5.39745 11.3858 numMergedOcc 0
65 mol 92 unq 2 iso 0 dist 7.4729 5.81965 6.99832 8.95922 6.82344 9.70512 8.55834 10.5753 7.1539 7.76866 numMergedOcc 0
66 mol 92 unq 3 iso 0 dist 7.4729 5.81965 6.99832 8.95922 6.82344 9.70512 9.50382 6.95572 5.39745 7.56363 numMergedOcc 0
67 mol 92 unq 4 iso 0 dist 6.82344 9.70512 6.99832 8.95922 7.4729 5.81965 7.76866 10.5753 7.1539 8.55834 numMergedOcc 0
68 mol 92 unq 5 iso 0 dist 6.82344 9.70512 6.99832 8.95922 7.4729 5.81965 7.56363 6.95572 5.39745 9.50382 numMergedOcc 0
69 mol 92 unq 6 iso 0 dist 6.82344 9.70512 6.99832 12.4494 11.862 7.06013 7.76866 10.5753 7.1539 8.51055 numMergedOcc 0
70 mol 92 unq 7 iso 0 dist 6.82344 9.70512 6.99832 12.4494 11.862 7.06013 7.56363 6.95572 5.39745 11.3858 numMergedOcc 0
71 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 11.6667 16.7981 7.39889 15.5019 17.9198 7.26955 5.92984 numMergedOcc 0
72 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 12.4603 12.6489 7.44174 15.5019 17.9198 7.26955 10.314 numMergedOcc 0
73 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 11.3169 14.5183 7.39889 10.314 14.2293 7.26955 5.92984 numMergedOcc 0
74 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 12.4603 10.3704 9.63176 10.314 14.2293 7.26955 15.5019 numMergedOcc 0
75 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 7.12167 12.1593 9.06011 6.0268 6.30546 7.36017 10.1326 numMergedOcc 0
76 mol 126 unq 1 iso 0 dist 6.06638 7.75534 7.01257 7.12167 12.1593 9.06011 8.01268 10.0699 5.14819 6.51507 numMergedOcc 0
77 mol 126 unq 2 iso 0 dist 6.06638 7.75534 7.01257 7.12167 12.1593 9.06011 10.2072 12.8712 6.84245 5.78149 numMergedOcc 0
78 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 8.80819 11.9139 8.79571 5.71679 7.69991 8.73604 4.57832 numMergedOcc 0
79 mol 134 unq 1 iso 0 dist 6.54501 8.6355 10.1448 5.00817 9.5126 5.42582 5.71679 7.69991 8.73604 5.29786 numMergedOcc 0
80 mol 134 unq 2 iso 0 dist 8.94367 8.79571 5.41704 5.49782 6.37586 5.42582 4.57832 6.23142 8.73604 5.29786 numMergedOcc 0
81 mol 134 unq 3 iso 0 dist 8.94367 8.79571 5.41704 8.80819 6.49416 8.6355 4.57832 6.23142 8.73604 5.71679 numMergedOcc 0
82 mol 134 unq 4 iso 0 dist 6.37586 5.42582 5.41704 5.49782 8.94367 8.79571 5.29786 6.23142 8.73604 4.57832 numMergedOcc 0
83 mol 134 unq 5 iso 0 dist 6.37586 5.42582 5.41704 5.00817 6.49416 8.6355 5.29786 6.23142 8.73604 5.71679 numMergedOcc 0
84 mol 134 unq 6 iso 0 dist 6.49416 8.6355 5.41704 8.80819 8.94367 8.79571 5.71679 6.23142 8.73604 4.57832 numMergedOcc 0
85 mol 134 unq 7 iso 0 dist 6.49416 8.6355 5.41704 5.00817 6.37586 5.42582 5.71679 6.23142 8.73604 5.29786 numMergedOcc 0
86 mol 134 unq 8 iso 0 dist 9.86662 8.79571 6.17103 5.49782 9.71307 5.42582 4.57832 9.94764 8.73604 5.29786 numMergedOcc 0
87 mol 134 unq 9 iso 0 dist 9.86662 8.79571 6.17103 8.80819 12.5075 8.6355 4.57832 9.94764 8.73604 5.71679 numMergedOcc 0
88 mol 134 unq 10 iso 0 dist 9.71307 5.42582 6.17103 5.49782 9.86662 8.79571 5.29786 9.94764 8.73604 4.57832 numMergedOcc 0
89 mol 134 unq 11 iso 0 dist 9.71307 5.42582 6.17103 5.00817 12.5075 8.6355 5.29786 9.94764 8.73604 5.71679 numMergedOcc 0
90 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 5.71071 7.46303 9.14392 10.4923 10.9606 9.0529 6.89781 numMergedOcc 0
91 mol 155 unq 1 iso 0 dist 6.23493 9.86313 5.86939 5.71071 7.46303 7.51198 11.0769 12.2416 9.80845 5.50031 numMergedOcc 0
92 mol 155 unq 2 iso 0 dist 6.23493 9.86313 5.86939 5.71071 7.46303 7.51198 10.4923 10.9606 7.55196 6.89781 numMergedOcc 0
93 mol 155 unq 3 iso 0 dist 7.46303 9.14392 6.3845 5.71071 6.23493 7.16254 6.89781 10.9606 9.0529 10.4923 numMergedOcc 0
94 mol 155 unq 4 iso 0 dist 7.46303 7.51198 5.86939 5.71071 6.23493 9.86313 5.50031 12.2416 9.80845 11.0769 numMergedOcc 0
95 mol 155 unq 5 iso 0 dist 7.46303 7.51198 5.86939 5.71071 6.23493 9.86313 6.89781 10.9606 7.55196 10.4923 numMergedOcc 0
96 mol 155 unq 6 iso 0 dist 6.43582 9.14392 12.1814 5.71071 10.2463 7.16254 6.89781 10.3161 9.0529 10.4923 numMergedOcc 0
97 mol 155 unq 7 iso 0 dist 6.43582 7.51198 6.34186 5.71071 10.2463 9.86313 5.50031 7.92304 9.80845 11.0769 numMergedOcc 0
98 mol 155 unq 8 iso 0 dist 6.43582 7.51198 6.34186 5.71071 10.2463 9.86313 6.89781 10.3161 7.55196 10.4923 numMergedOcc 0
99 mol 175 unq 0 iso 0 dist 9.0018 9.8589 8.22779 7.42466 7.652 7.24908 8.29015 10.4182 5.4997 4.63177 numMergedOcc 0
100 mol 175 unq 1 iso 0 dist 9.0018 9.8589 8.22779 7.42466 7.652 7.24908 14.7282 13.5281 6.99693 9.30597 numMergedOcc 0
101 mol 175 unq 2 iso 0 dist 7.652 7.24908 8.22779 7.42466 9.0018 9.8589 4.63177 10.4182 5.4997 8.29015 numMergedOcc 0
102 mol 175 unq 3 iso 0 dist 7.652 7.24908 8.22779 7.42466 9.0018 9.8589 9.30597 13.5281 6.99693 14.7282 numMergedOcc 0
103 mol 175 unq 4 iso 0 dist 5.6234 9.8589 10.5631 7.42466 9.92231 7.24908 8.29015 11.6765 5.4997 4.63177 numMergedOcc 0
104 mol 175 unq 5 iso 0 dist 5.6234 9.8589 10.5631 7.42466 9.92231 7.24908 14.7282 16.8306 6.99693 9.30597 numMergedOcc 0
105 mol 175 unq 6 iso 0 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 4.63177 11.6765 5.4997 8.29015 numMergedOcc 0
106 mol 175 unq 7 iso 0 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 9.30597 16.8306 6.99693 14.7282 numMergedOcc 0
107 mol 175 unq 8 iso 0 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 8.29015 9.77896 5.4997 4.63177 numMergedOcc 0
108 mol 175 unq 9 iso 0 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 14.7282 14.2813 6.99693 9.30597 numMergedOcc 0
109 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.22356 8.65997 6.95902 10.9607 5.41321 7.57454 9.72615 numMergedOcc 0
110 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 5.22356 7.22101 8.17891 9.72615 5.41321 7.57454 10.9607 numMergedOcc 0
111 mol 227 unq 2 iso 0 dist 7.09863 8.17891 9.13836 5.22356 10.8157 6.95902 10.9607 9.74265 7.57454 9.72615 numMergedOcc 0
112 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 9.85037 11.9862 9.43058 15.6327 16.5425 7.31773 10.632 numMergedOcc 0
113 mol 235 unq 1 iso 0 dist 5.4638 9.58736 9.66021 13.6669 15.2592 8.75735 15.6327 16.5425 7.31773 6.01041 numMergedOcc 0
114 mol 235 unq 2 iso 0 dist 5.4638 9.58736 9.66021 16.4493 15.3051 6.98084 15.6327 16.5425 7.31773 6.82855 numMergedOcc 0
115 mol 235 unq 3 iso 0 dist 5.4638 9.58736 9.66021 15.4 16.4776 7.32211 15.6327 16.5425 7.31773 6.46722 numMergedOcc 0
116 mol 256 unq 0 iso 0 dist 8.29103 5.24676 4.22352 9.92128 11.4761 8.09363 5.28793 9.4406 7.48269 10.134 numMergedOcc 0
117 mol 256 unq 1 iso 0 dist 8.29103 5.24676 4.22352 9.92128 11.4761 8.09363 4.99672 10.6676 6.71249 5.94495 numMergedOcc 0
118 mol 256 unq 2 iso 0 dist 8.29103 5.24676 4.22352 9.92128 11.4761 8.09363 7.7384 12.7661 9.18903 11.0837 numMergedOcc 0
119 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 12.5353 15.9169 8.37865 8.81835 7.98231 8.71497 8.75685 numMergedOcc 0
120 mol 259 unq 1 iso 0 dist 7.84554 7.48005 11.8736 12.5353 18.2309 8.37865 8.81835 11.6972 8.71497 8.75685 numMergedOcc 0
121 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 12.5353 11.858 8.37865 8.81835 7.08526 8.71497 8.75685 numMergedOcc 0
122 mol 259 unq 3 iso 0 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 8.75685 10.4552 8.71497 8.81835 numMergedOcc 0
123 mol 259 unq 4 iso 0 dist 9.18903 7.48005 12.6649 12.5353 20.3294 8.37865 8.81835 15.8414 8.71497 8.75685 numMergedOcc 0
124 mol 282 unq 0 iso 0 dist 8.04483 6.85028 6.3384 5.39891 6.33524 7.32347 7.80785 10.6906 6.8972 6.6348 numMergedOcc 0
125 mol 282 unq 1 iso 0 dist 8.04483 6.85028 6.3384 7.76539 13.5481 8.3411 7.80785 10.6906 6.8972 6.3458 numMergedOcc 0
126 mol 282 unq 2 iso 0 dist 6.33524 7.32347 6.3384 5.39891 8.04483 6.85028 6.6348 10.6906 6.8972 7.80785 numMergedOcc 0
127 mol 282 unq 3 iso 0 dist 6.33524 7.32347 6.3384 10.5372 13.5481 8.3411 6.6348 10.6906 6.8972 6.3458 numMergedOcc 0
