0 mol 7 unq 0 iso 0 dist 6.36911 13.2247 9.36807 5.03847 9.97624 13.8829 10.6581 15.9584 18.3807 6.02702 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 13.8829 9.97624 5.03847 18.3807 15.9584 10.6581 6.02702 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.36911 13.2247 9.36807 5.03847 9.97624 13.8829 10.5461 10.515 7.10621 8.72114 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 13.2247 6.36911 13.8829 9.97624 5.03847 7.10621 10.515 10.5461 8.72114 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.80108 7.07775 8.58657 4.96411 7.02548 7.08342 10.4091 6.74265 4.51865 8.40416 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 8.58657 7.07775 9.80108 7.08342 7.02548 4.96411 4.51865 6.74265 10.4091 8.40416 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 9.80108 7.07775 8.58657 4.96411 7.02548 7.08342 7.20519 5.5841 6.864 7.75618 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 8.58657 7.07775 9.80108 7.08342 7.02548 4.96411 6.864 5.5841 7.20519 7.75618 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.00439 7.83352 6.20943 6.42867 5.82366 4.64838 9.78944 5.14627 8.4674 6.41575 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 6.20943 7.83352 6.00439 4.64838 5.82366 6.42867 8.4674 5.14627 9.78944 6.41575 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 6.00439 7.83352 6.20943 6.42867 5.82366 4.64838 9.56313 4.69858 4.51865 6.41423 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.20943 7.83352 6.00439 4.64838 5.82366 6.42867 4.51865 4.69858 9.56313 6.41423 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 6.00439 10.8007 7.82528 6.42867 5.82366 4.97119 9.78944 5.14627 4.54938 6.41575 numMergedOcc 0
13 mol 19 unq 4 iso 1 dist 7.82528 10.8007 6.00439 4.97119 5.82366 6.42867 4.54938 5.14627 9.78944 6.41575 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 6.00439 10.8007 7.82528 6.42867 5.82366 4.97119 9.56313 4.69858 6.864 6.41423 numMergedOcc 0
15 mol 19 unq 5 iso 1 dist 7.82528 10.8007 6.00439 4.97119 5.82366 6.42867 6.864 4.69858 9.56313 6.41423 numMergedOcc 0
16 mol 19 unq 4 iso 0 dist 6.20943 7.67038 7.82528 4.64838 5.82366 4.97119 8.4674 5.14627 4.54938 6.41575 numMergedOcc 0
17 mol 19 unq 4 iso 1 dist 7.82528 7.67038 6.20943 4.97119 5.82366 4.64838 4.54938 5.14627 8.4674 6.41575 numMergedOcc 0
18 mol 19 unq 5 iso 0 dist 6.20943 7.67038 7.82528 4.64838 5.82366 4.97119 4.51865 4.69858 6.864 6.41423 numMergedOcc 0
19 mol 19 unq 5 iso 1 dist 7.82528 7.67038 6.20943 4.97119 5.82366 4.64838 6.864 4.69858 4.51865 6.41423 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 6.40841 11.0466 7.58407 7.12541 8.71468 11.387 7.32874 6.75888 13.4544 7.21955 numMergedOcc 0
21 mol 58 unq 0 iso 1 dist 7.58407 11.0466 6.40841 11.387 8.71468 7.12541 13.4544 6.75888 7.32874 7.21955 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 6.40841 5.90225 6.31428 7.12541 8.71468 5.74871 7.32874 6.75888 9.55426 7.21955 numMergedOcc 0
23 mol 58 unq 1 iso 1 dist 6.31428 5.90225 6.40841 5.74871 8.71468 7.12541 9.55426 6.75888 7.32874 7.21955 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 8.63333 5.35073 8.89374 10.2049 9.11258 5.49591 6.86465 6.47744 6.35756 8.80614 numMergedOcc 0
25 mol 58 unq 2 iso 1 dist 8.89374 5.35073 8.63333 5.49591 9.11258 10.2049 6.35756 6.47744 6.86465 8.80614 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 8.63333 10.8153 6.46761 10.2049 9.11258 5.85698 6.86465 6.47744 10.3224 8.80614 numMergedOcc 0
27 mol 58 unq 3 iso 1 dist 6.46761 10.8153 8.63333 5.85698 9.11258 10.2049 10.3224 6.47744 6.86465 8.80614 numMergedOcc 0
28 mol 58 unq 4 iso 0 dist 8.63333 14.5953 9.73139 10.2049 9.11258 12.2123 6.86465 6.47744 15.4557 8.80614 numMergedOcc 0
29 mol 58 unq 4 iso 1 dist 9.73139 14.5953 8.63333 12.2123 9.11258 10.2049 15.4557 6.47744 6.86465 8.80614 numMergedOcc 0
30 mol 58 unq 3 iso 0 dist 8.89374 8.62958 6.46761 5.49591 9.11258 5.85698 6.35756 6.47744 10.3224 8.80614 numMergedOcc 0
31 mol 58 unq 3 iso 1 dist 6.46761 8.62958 8.89374 5.85698 9.11258 5.49591 10.3224 6.47744 6.35756 8.80614 numMergedOcc 0
32 mol 58 unq 4 iso 0 dist 8.89374 14.176 9.73139 5.49591 9.11258 12.2123 6.35756 6.47744 15.4557 8.80614 numMergedOcc 0
33 mol 58 unq 4 iso 1 dist 9.73139 14.176 8.89374 12.2123 9.11258 5.49591 15.4557 6.47744 6.35756 8.80614 numMergedOcc 0
34 mol 58 unq 4 iso 0 dist 6.46761 6.47414 9.73139 5.85698 9.11258 12.2123 10.3224 6.47744 15.4557 8.80614 numMergedOcc 0
35 mol 58 unq 4 iso 1 dist 9.73139 6.47414 6.46761 12.2123 9.11258 5.85698 15.4557 6.47744 10.3224 8.80614 numMergedOcc 0
36 mol 58 unq 1 iso 0 dist 7.58407 6.47414 6.31428 11.387 8.71468 5.74871 13.4544 6.75888 9.55426 7.21955 numMergedOcc 0
37 mol 58 unq 1 iso 1 dist 6.31428 6.47414 7.58407 5.74871 8.71468 11.387 9.55426 6.75888 13.4544 7.21955 numMergedOcc 0
38 mol 64 unq 0 iso 0 dist 8.68586 10.6748 9.54144 6.21578 9.32552 11.4485 9.67592 5.3948 14.5656 9.97159 numMergedOcc 0
39 mol 64 unq 0 iso 1 dist 9.54144 10.6748 8.68586 11.4485 9.32552 6.21578 14.5656 5.3948 9.67592 9.97159 numMergedOcc 0
40 mol 73 unq 0 iso 0 dist 8.70133 7.4697 5.64598 5.11416 7.10439 8.44406 9.96396 7.41074 11.4799 9.24757 numMergedOcc 0
41 mol 73 unq 0 iso 1 dist 5.64598 7.4697 8.70133 8.44406 7.10439 5.11416 11.4799 7.41074 9.96396 9.24757 numMergedOcc 0
42 mol 73 unq 1 iso 0 dist 8.70133 5.4148 4.65521 5.11416 7.10439 6.56633 9.96396 7.41074 6.19304 9.24757 numMergedOcc 0
43 mol 73 unq 1 iso 1 dist 4.65521 5.4148 8.70133 6.56633 7.10439 5.11416 6.19304 7.41074 9.96396 9.24757 numMergedOcc 0
44 mol 73 unq 1 iso 0 dist 5.64598 5.7113 4.65521 8.44406 7.10439 6.56633 11.4799 7.41074 6.19304 9.24757 numMergedOcc 0
45 mol 73 unq 1 iso 1 dist 4.65521 5.7113 5.64598 6.56633 7.10439 8.44406 6.19304 7.41074 11.4799 9.24757 numMergedOcc 0
46 mol 92 unq 0 iso 0 dist 5.81965 5.02055 7.06013 8.55834 7.1539 8.51055 12.4557 9.97281 10.2618 5.37007 numMergedOcc 0
47 mol 92 unq 0 iso 1 dist 7.06013 5.02055 5.81965 8.51055 7.1539 8.55834 10.2618 9.97281 12.4557 5.37007 numMergedOcc 0
48 mol 92 unq 1 iso 0 dist 5.81965 5.02055 7.06013 9.50382 5.39745 11.3858 7.4729 6.99832 11.862 6.95572 numMergedOcc 0
49 mol 92 unq 1 iso 1 dist 7.06013 5.02055 5.81965 11.3858 5.39745 9.50382 11.862 6.99832 7.4729 6.95572 numMergedOcc 0
50 mol 92 unq 2 iso 0 dist 5.81965 8.95922 9.70512 8.55834 7.1539 7.76866 12.4557 9.97281 13.0635 5.37007 numMergedOcc 0
51 mol 92 unq 2 iso 1 dist 9.70512 8.95922 5.81965 7.76866 7.1539 8.55834 13.0635 9.97281 12.4557 5.37007 numMergedOcc 0
52 mol 92 unq 3 iso 0 dist 5.81965 8.95922 9.70512 9.50382 5.39745 7.56363 7.4729 6.99832 6.82344 6.95572 numMergedOcc 0
53 mol 92 unq 3 iso 1 dist 9.70512 8.95922 5.81965 7.56363 5.39745 9.50382 6.82344 6.99832 7.4729 6.95572 numMergedOcc 0
54 mol 92 unq 2 iso 0 dist 7.06013 12.4494 9.70512 8.51055 7.1539 7.76866 10.2618 9.97281 13.0635 5.37007 numMergedOcc 0
55 mol 92 unq 2 iso 1 dist 9.70512 12.4494 7.06013 7.76866 7.1539 8.51055 13.0635 9.97281 10.2618 5.37007 numMergedOcc 0
56 mol 92 unq 3 iso 0 dist 7.06013 12.4494 9.70512 11.3858 5.39745 7.56363 11.862 6.99832 6.82344 6.95572 numMergedOcc 0
57 mol 92 unq 3 iso 1 dist 9.70512 12.4494 7.06013 7.56363 5.39745 11.3858 6.82344 6.99832 11.862 6.95572 numMergedOcc 0
58 mol 126 unq 0 iso 0 dist 7.75534 7.12167 9.06011 6.0268 7.36017 10.1326 6.06638 7.01257 12.1593 6.30546 numMergedOcc 0
59 mol 126 unq 0 iso 1 dist 9.06011 7.12167 7.75534 10.1326 7.36017 6.0268 12.1593 7.01257 6.06638 6.30546 numMergedOcc 0
60 mol 126 unq 1 iso 0 dist 7.75534 7.12167 9.06011 8.01268 5.14819 6.51507 12.1603 5.15767 10.4642 6.29233 numMergedOcc 0
61 mol 126 unq 1 iso 1 dist 9.06011 7.12167 7.75534 6.51507 5.14819 8.01268 10.4642 5.15767 12.1603 6.29233 numMergedOcc 0
62 mol 126 unq 2 iso 0 dist 7.75534 7.12167 9.06011 10.2072 6.84245 5.78149 12.1603 5.15767 10.4642 5.42406 numMergedOcc 0
63 mol 126 unq 2 iso 1 dist 9.06011 7.12167 7.75534 5.78149 6.84245 10.2072 10.4642 5.15767 12.1603 5.42406 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 8.79571 5.49782 5.42582 4.57832 8.73604 5.29786 11.9139 10.1448 9.5126 7.69991 numMergedOcc 0
65 mol 134 unq 0 iso 1 dist 5.42582 5.49782 8.79571 5.29786 8.73604 4.57832 9.5126 10.1448 11.9139 7.69991 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 8.79571 5.49782 5.42582 4.57832 8.73604 5.29786 8.94367 5.41704 6.37586 6.23142 numMergedOcc 0
67 mol 134 unq 1 iso 1 dist 5.42582 5.49782 8.79571 5.29786 8.73604 4.57832 6.37586 5.41704 8.94367 6.23142 numMergedOcc 0
68 mol 134 unq 2 iso 0 dist 8.79571 5.49782 5.42582 4.57832 8.73604 5.29786 9.86662 6.17103 9.71307 9.94764 numMergedOcc 0
69 mol 134 unq 2 iso 1 dist 5.42582 5.49782 8.79571 5.29786 8.73604 4.57832 9.71307 6.17103 9.86662 9.94764 numMergedOcc 0
70 mol 134 unq 3 iso 0 dist 8.79571 8.80819 8.6355 4.57832 8.73604 5.71679 11.9139 10.1448 6.54501 7.69991 numMergedOcc 0
71 mol 134 unq 3 iso 1 dist 8.6355 8.80819 8.79571 5.71679 8.73604 4.57832 6.54501 10.1448 11.9139 7.69991 numMergedOcc 0
72 mol 134 unq 4 iso 0 dist 8.79571 8.80819 8.6355 4.57832 8.73604 5.71679 8.94367 5.41704 6.49416 6.23142 numMergedOcc 0
73 mol 134 unq 4 iso 1 dist 8.6355 8.80819 8.79571 5.71679 8.73604 4.57832 6.49416 5.41704 8.94367 6.23142 numMergedOcc 0
74 mol 134 unq 5 iso 0 dist 8.79571 8.80819 8.6355 4.57832 8.73604 5.71679 9.86662 6.17103 12.5075 9.94764 numMergedOcc 0
75 mol 134 unq 5 iso 1 dist 8.6355 8.80819 8.79571 5.71679 8.73604 4.57832 12.5075 6.17103 9.86662 9.94764 numMergedOcc 0
76 mol 134 unq 3 iso 0 dist 5.42582 5.00817 8.6355 5.29786 8.73604 5.71679 9.5126 10.1448 6.54501 7.69991 numMergedOcc 0
77 mol 134 unq 3 iso 1 dist 8.6355 5.00817 5.42582 5.71679 8.73604 5.29786 6.54501 10.1448 9.5126 7.69991 numMergedOcc 0
78 mol 134 unq 4 iso 0 dist 5.42582 5.00817 8.6355 5.29786 8.73604 5.71679 6.37586 5.41704 6.49416 6.23142 numMergedOcc 0
79 mol 134 unq 4 iso 1 dist 8.6355 5.00817 5.42582 5.71679 8.73604 5.29786 6.49416 5.41704 6.37586 6.23142 numMergedOcc 0
80 mol 134 unq 5 iso 0 dist 5.42582 5.00817 8.6355 5.29786 8.73604 5.71679 9.71307 6.17103 12.5075 9.94764 numMergedOcc 0
81 mol 134 unq 5 iso 1 dist 8.6355 5.00817 5.42582 5.71679 8.73604 5.29786 12.5075 6.17103 9.71307 9.94764 numMergedOcc 0
82 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 10.0059 6.46089 8.57817 10.6877 6.01455 12.7524 7.78652 numMergedOcc 0
83 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 8.57817 6.46089 10.0059 12.7524 6.01455 10.6877 7.78652 numMergedOcc 0
84 mol 155 unq 0 iso 0 dist 7.16254 5.71071 9.14392 10.4923 9.0529 6.89781 12.1555 5.48883 12.3052 8.69157 numMergedOcc 0
85 mol 155 unq 0 iso 1 dist 9.14392 5.71071 7.16254 6.89781 9.0529 10.4923 12.3052 5.48883 12.1555 8.69157 numMergedOcc 0
86 mol 155 unq 1 iso 0 dist 7.16254 5.71071 9.14392 10.4923 9.0529 6.89781 13.5605 9.36596 10.7829 6.53347 numMergedOcc 0
87 mol 155 unq 1 iso 1 dist 9.14392 5.71071 7.16254 6.89781 9.0529 10.4923 10.7829 9.36596 13.5605 6.53347 numMergedOcc 0
88 mol 155 unq 2 iso 0 dist 9.86313 5.71071 7.51198 11.0769 9.80845 5.50031 10.2463 6.34186 6.43582 7.92304 numMergedOcc 0
89 mol 155 unq 2 iso 1 dist 7.51198 5.71071 9.86313 5.50031 9.80845 11.0769 6.43582 6.34186 10.2463 7.92304 numMergedOcc 0
90 mol 155 unq 3 iso 0 dist 9.86313 5.71071 7.51198 10.4923 7.55196 6.89781 12.1555 8.78665 12.3052 8.69157 numMergedOcc 0
91 mol 155 unq 3 iso 1 dist 7.51198 5.71071 9.86313 6.89781 7.55196 10.4923 12.3052 8.78665 12.1555 8.69157 numMergedOcc 0
92 mol 155 unq 4 iso 0 dist 9.86313 5.71071 7.51198 10.4923 7.55196 6.89781 13.5605 5.40375 10.7829 6.53347 numMergedOcc 0
93 mol 155 unq 4 iso 1 dist 7.51198 5.71071 9.86313 6.89781 7.55196 10.4923 10.7829 5.40375 13.5605 6.53347 numMergedOcc 0
94 mol 175 unq 0 iso 0 dist 9.8589 7.42466 7.24908 8.29015 5.4997 4.63177 6.57069 7.5414 10.2623 9.77896 numMergedOcc 0
95 mol 175 unq 0 iso 1 dist 7.24908 7.42466 9.8589 4.63177 5.4997 8.29015 10.2623 7.5414 6.57069 9.77896 numMergedOcc 0
96 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 10.9607 7.57454 9.72615 7.22101 6.43754 8.65997 5.41321 numMergedOcc 0
97 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 9.72615 7.57454 10.9607 8.65997 6.43754 7.22101 5.41321 numMergedOcc 0
98 mol 238 unq 0 iso 0 dist 6.05141 5.6348 8.09066 10.7081 8.09718 12.2874 13.9668 13.171 12.8275 7.57812 numMergedOcc 0
99 mol 238 unq 0 iso 1 dist 8.09066 5.6348 6.05141 12.2874 8.09718 10.7081 12.8275 13.171 13.9668 7.57812 numMergedOcc 0
100 mol 238 unq 1 iso 0 dist 6.05141 5.6348 8.09066 10.7081 8.09718 12.2874 16.4238 11.9142 15.1497 9.24557 numMergedOcc 0
101 mol 238 unq 1 iso 1 dist 8.09066 5.6348 6.05141 12.2874 8.09718 10.7081 15.1497 11.9142 16.4238 9.24557 numMergedOcc 0
102 mol 238 unq 2 iso 0 dist 6.05141 5.6348 8.09066 5.50308 6.73446 7.11984 13.9668 13.171 12.8275 8.69104 numMergedOcc 0
103 mol 238 unq 2 iso 1 dist 8.09066 5.6348 6.05141 7.11984 6.73446 5.50308 12.8275 13.171 13.9668 8.69104 numMergedOcc 0
104 mol 238 unq 3 iso 0 dist 6.05141 8.87326 7.2766 10.7081 8.09718 10.4017 13.9668 13.171 10.7456 7.57812 numMergedOcc 0
105 mol 238 unq 3 iso 1 dist 7.2766 8.87326 6.05141 10.4017 8.09718 10.7081 10.7456 13.171 13.9668 7.57812 numMergedOcc 0
106 mol 238 unq 4 iso 0 dist 6.05141 8.87326 7.2766 10.7081 8.09718 10.4017 16.4238 11.9142 10.3007 9.24557 numMergedOcc 0
107 mol 238 unq 4 iso 1 dist 7.2766 8.87326 6.05141 10.4017 8.09718 10.7081 10.3007 11.9142 16.4238 9.24557 numMergedOcc 0
108 mol 238 unq 5 iso 0 dist 6.05141 8.87326 7.2766 5.50308 6.73446 7.95232 13.9668 13.171 10.7456 8.69104 numMergedOcc 0
109 mol 238 unq 5 iso 1 dist 7.2766 8.87326 6.05141 7.95232 6.73446 5.50308 10.7456 13.171 13.9668 8.69104 numMergedOcc 0
110 mol 238 unq 6 iso 0 dist 8.14172 5.31152 6.77463 12.2874 8.90076 10.4017 12.8275 5.11565 10.7456 7.57812 numMergedOcc 0
111 mol 238 unq 6 iso 1 dist 6.77463 5.31152 8.14172 10.4017 8.90076 12.2874 10.7456 5.11565 12.8275 7.57812 numMergedOcc 0
112 mol 238 unq 7 iso 0 dist 8.14172 5.31152 6.77463 12.2874 8.90076 10.4017 15.1497 11.0401 10.3007 9.24557 numMergedOcc 0
113 mol 238 unq 7 iso 1 dist 6.77463 5.31152 8.14172 10.4017 8.90076 12.2874 10.3007 11.0401 15.1497 9.24557 numMergedOcc 0
114 mol 238 unq 8 iso 0 dist 8.14172 5.31152 6.77463 7.11984 6.62002 7.95232 12.8275 5.11565 10.7456 8.69104 numMergedOcc 0
115 mol 238 unq 8 iso 1 dist 6.77463 5.31152 8.14172 7.95232 6.62002 7.11984 10.7456 5.11565 12.8275 8.69104 numMergedOcc 0
116 mol 238 unq 3 iso 0 dist 8.09066 5.31152 7.2766 12.2874 8.09718 10.4017 12.8275 13.171 10.7456 7.57812 numMergedOcc 0
117 mol 238 unq 3 iso 1 dist 7.2766 5.31152 8.09066 10.4017 8.09718 12.2874 10.7456 13.171 12.8275 7.57812 numMergedOcc 0
118 mol 238 unq 4 iso 0 dist 8.09066 5.31152 7.2766 12.2874 8.09718 10.4017 15.1497 11.9142 10.3007 9.24557 numMergedOcc 0
119 mol 238 unq 4 iso 1 dist 7.2766 5.31152 8.09066 10.4017 8.09718 12.2874 10.3007 11.9142 15.1497 9.24557 numMergedOcc 0
120 mol 238 unq 5 iso 0 dist 8.09066 5.31152 7.2766 7.11984 6.73446 7.95232 12.8275 13.171 10.7456 8.69104 numMergedOcc 0
121 mol 238 unq 5 iso 1 dist 7.2766 5.31152 8.09066 7.95232 6.73446 7.11984 10.7456 13.171 12.8275 8.69104 numMergedOcc 0
122 mol 259 unq 0 iso 0 dist 7.48005 12.5353 8.37865 8.81835 8.71497 8.75685 7.88519 11.6195 15.9169 7.98231 numMergedOcc 0
123 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 8.75685 8.71497 8.81835 15.9169 11.6195 7.88519 7.98231 numMergedOcc 0
124 mol 259 unq 1 iso 0 dist 7.48005 12.5353 8.37865 8.81835 8.71497 8.75685 7.46176 5.79468 11.858 7.08526 numMergedOcc 0
125 mol 259 unq 1 iso 1 dist 8.37865 12.5353 7.48005 8.75685 8.71497 8.81835 11.858 5.79468 7.46176 7.08526 numMergedOcc 0
