0 mol 7 unq 0 iso 0 dist 6.36911 5.03847 9.97624 10.6581 15.9584 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 5.03847 9.97624 10.5461 10.515 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 13.8829 9.97624 18.3807 15.9584 6.02702 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.36807 13.8829 9.97624 7.10621 10.515 8.72114 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.47421 9.5997 9.57198 8.57077 5.60154 9.62394 numMergedOcc 0
5 mol 11 unq 0 iso 0 dist 9.53002 10.9183 8.73067 14.7815 8.05213 5.96346 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 9.29358 9.75966 6.50647 11.3543 6.67334 6.42748 numMergedOcc 0
7 mol 15 unq 1 iso 0 dist 9.29358 9.75966 6.50647 9.88835 6.29685 7.48342 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 9.80108 4.96411 7.02548 10.4091 6.74265 8.40416 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 9.80108 4.96411 7.02548 7.20519 5.5841 7.75618 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 6.00439 6.42867 5.82366 9.78944 5.14627 6.41575 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 6.00439 6.42867 5.82366 9.56313 4.69858 6.41423 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 6.20943 4.64838 5.82366 8.4674 5.14627 6.41575 numMergedOcc 0
13 mol 19 unq 5 iso 0 dist 6.20943 4.64838 5.82366 4.51865 4.69858 6.41423 numMergedOcc 0
14 mol 19 unq 6 iso 0 dist 7.82528 4.97119 5.82366 4.54938 5.14627 6.41575 numMergedOcc 0
15 mol 19 unq 7 iso 0 dist 7.82528 4.97119 5.82366 6.864 4.69858 6.41423 numMergedOcc 0
16 mol 19 unq 8 iso 0 dist 8.58657 7.08342 7.02548 4.51865 6.74265 8.40416 numMergedOcc 0
17 mol 19 unq 9 iso 0 dist 8.58657 7.08342 7.02548 6.864 5.5841 7.75618 numMergedOcc 0
18 mol 27 unq 0 iso 0 dist 9.77484 14.3929 7.60283 17.0333 7.50515 9.52474 numMergedOcc 0
19 mol 45 unq 0 iso 0 dist 9.20119 10.7082 5.55096 11.5838 5.54436 9.53378 numMergedOcc 0
20 mol 54 unq 0 iso 0 dist 5.02241 4.29856 6.30987 6.83299 5.06052 6.14538 numMergedOcc 0
21 mol 58 unq 0 iso 0 dist 8.81638 9.62267 7.6481 18.1669 13.9007 8.80614 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 6.40841 7.12541 8.71468 7.32874 6.75888 7.21955 numMergedOcc 0
23 mol 58 unq 2 iso 0 dist 8.63333 10.2049 9.11258 6.86465 6.47744 8.80614 numMergedOcc 0
24 mol 58 unq 3 iso 0 dist 8.89374 5.49591 9.11258 6.35756 6.47744 8.80614 numMergedOcc 0
25 mol 58 unq 4 iso 0 dist 6.46761 5.85698 9.11258 10.3224 6.47744 8.80614 numMergedOcc 0
26 mol 58 unq 5 iso 0 dist 7.58407 11.387 8.71468 13.4544 6.75888 7.21955 numMergedOcc 0
27 mol 58 unq 6 iso 0 dist 9.73139 12.2123 9.11258 15.4557 6.47744 8.80614 numMergedOcc 0
28 mol 58 unq 7 iso 0 dist 6.31428 5.74871 8.71468 9.55426 6.75888 7.21955 numMergedOcc 0
29 mol 59 unq 0 iso 0 dist 6.71911 9.64444 9.2902 7.71095 5.33688 6.73347 numMergedOcc 0
30 mol 64 unq 0 iso 0 dist 8.68586 6.21578 9.32552 9.67592 5.3948 9.97159 numMergedOcc 0
31 mol 64 unq 1 iso 0 dist 9.54144 11.4485 9.32552 14.5656 5.3948 9.97159 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 8.70133 5.11416 7.10439 9.96396 7.41074 9.24757 numMergedOcc 0
33 mol 73 unq 1 iso 0 dist 5.64598 8.44406 7.10439 11.4799 7.41074 9.24757 numMergedOcc 0
34 mol 73 unq 2 iso 0 dist 4.65521 6.56633 7.10439 6.19304 7.41074 9.24757 numMergedOcc 0
35 mol 92 unq 0 iso 0 dist 5.81965 8.55834 7.1539 12.4557 9.97281 5.37007 numMergedOcc 0
36 mol 92 unq 1 iso 0 dist 5.81965 9.50382 5.39745 7.4729 6.99832 6.95572 numMergedOcc 0
37 mol 92 unq 2 iso 0 dist 7.06013 8.51055 7.1539 10.2618 9.97281 5.37007 numMergedOcc 0
38 mol 92 unq 3 iso 0 dist 7.06013 11.3858 5.39745 11.862 6.99832 6.95572 numMergedOcc 0
39 mol 92 unq 4 iso 0 dist 9.70512 7.76866 7.1539 13.0635 9.97281 5.37007 numMergedOcc 0
40 mol 92 unq 5 iso 0 dist 9.70512 7.56363 5.39745 6.82344 6.99832 6.95572 numMergedOcc 0
41 mol 126 unq 0 iso 0 dist 7.75534 6.0268 7.36017 6.06638 7.01257 6.30546 numMergedOcc 0
42 mol 126 unq 1 iso 0 dist 7.75534 8.01268 5.14819 12.1603 5.15767 6.29233 numMergedOcc 0
43 mol 126 unq 2 iso 0 dist 7.75534 10.2072 6.84245 12.1603 5.15767 5.42406 numMergedOcc 0
44 mol 126 unq 3 iso 0 dist 9.06011 10.1326 7.36017 12.1593 7.01257 6.30546 numMergedOcc 0
45 mol 126 unq 4 iso 0 dist 9.06011 6.51507 5.14819 10.4642 5.15767 6.29233 numMergedOcc 0
46 mol 126 unq 5 iso 0 dist 9.06011 5.78149 6.84245 10.4642 5.15767 5.42406 numMergedOcc 0
47 mol 133 unq 0 iso 0 dist 7.92688 5.92062 6.51868 7.11802 4.68409 9.22661 numMergedOcc 0
48 mol 133 unq 1 iso 0 dist 7.92688 6.61891 7.34698 7.11802 4.68409 7.56378 numMergedOcc 0
49 mol 134 unq 0 iso 0 dist 8.79571 4.57832 8.73604 11.9139 10.1448 7.69991 numMergedOcc 0
50 mol 134 unq 1 iso 0 dist 8.79571 4.57832 8.73604 8.94367 5.41704 6.23142 numMergedOcc 0
51 mol 134 unq 2 iso 0 dist 8.79571 4.57832 8.73604 9.86662 6.17103 9.94764 numMergedOcc 0
52 mol 134 unq 3 iso 0 dist 5.42582 5.29786 8.73604 9.5126 10.1448 7.69991 numMergedOcc 0
53 mol 134 unq 4 iso 0 dist 5.42582 5.29786 8.73604 6.37586 5.41704 6.23142 numMergedOcc 0
54 mol 134 unq 5 iso 0 dist 5.42582 5.29786 8.73604 9.71307 6.17103 9.94764 numMergedOcc 0
55 mol 134 unq 6 iso 0 dist 8.6355 5.71679 8.73604 6.54501 10.1448 7.69991 numMergedOcc 0
56 mol 134 unq 7 iso 0 dist 8.6355 5.71679 8.73604 6.49416 5.41704 6.23142 numMergedOcc 0
57 mol 134 unq 8 iso 0 dist 8.6355 5.71679 8.73604 12.5075 6.17103 9.94764 numMergedOcc 0
58 mol 143 unq 0 iso 0 dist 7.31468 10.0059 6.46089 10.6877 6.01455 7.78652 numMergedOcc 0
59 mol 143 unq 1 iso 0 dist 7.7056 8.57817 6.46089 12.7524 6.01455 7.78652 numMergedOcc 0
60 mol 155 unq 0 iso 0 dist 7.16254 10.4923 9.0529 12.1555 5.48883 8.69157 numMergedOcc 0
61 mol 155 unq 1 iso 0 dist 7.16254 10.4923 9.0529 13.5605 9.36596 6.53347 numMergedOcc 0
62 mol 155 unq 2 iso 0 dist 9.86313 11.0769 9.80845 10.2463 6.34186 7.92304 numMergedOcc 0
63 mol 155 unq 3 iso 0 dist 9.86313 10.4923 7.55196 12.1555 8.78665 8.69157 numMergedOcc 0
64 mol 155 unq 4 iso 0 dist 9.86313 10.4923 7.55196 13.5605 5.40375 6.53347 numMergedOcc 0
65 mol 155 unq 5 iso 0 dist 9.14392 6.89781 9.0529 12.3052 5.48883 8.69157 numMergedOcc 0
66 mol 155 unq 6 iso 0 dist 9.14392 6.89781 9.0529 10.7829 9.36596 6.53347 numMergedOcc 0
67 mol 155 unq 7 iso 0 dist 7.51198 5.50031 9.80845 6.43582 6.34186 7.92304 numMergedOcc 0
68 mol 155 unq 8 iso 0 dist 7.51198 6.89781 7.55196 12.3052 8.78665 8.69157 numMergedOcc 0
69 mol 155 unq 9 iso 0 dist 7.51198 6.89781 7.55196 10.7829 5.40375 6.53347 numMergedOcc 0
70 mol 156 unq 0 iso 0 dist 6.88137 6.14767 7.30946 10.2717 5.07967 7.30357 numMergedOcc 0
71 mol 156 unq 1 iso 0 dist 7.36119 5.81563 6.05323 11.6719 8.31653 9.00416 numMergedOcc 0
72 mol 156 unq 2 iso 0 dist 6.27641 5.4555 5.81122 7.44554 7.29758 9.44367 numMergedOcc 0
73 mol 156 unq 3 iso 0 dist 6.27641 5.4555 5.81122 8.94056 8.67156 7.90267 numMergedOcc 0
74 mol 175 unq 0 iso 0 dist 9.8589 8.29015 5.4997 6.57069 7.5414 9.77896 numMergedOcc 0
75 mol 175 unq 1 iso 0 dist 7.24908 4.63177 5.4997 10.2623 7.5414 9.77896 numMergedOcc 0
76 mol 181 unq 0 iso 0 dist 6.94688 6.6251 9.06217 9.1374 6.25083 6.2479 numMergedOcc 0
77 mol 181 unq 1 iso 0 dist 6.94688 6.6251 9.06217 9.94371 10.5753 6.22122 numMergedOcc 0
78 mol 181 unq 2 iso 0 dist 6.94688 6.6251 9.06217 5.98885 5.86342 7.99195 numMergedOcc 0
79 mol 181 unq 3 iso 0 dist 6.71012 6.6251 7.13252 9.1374 4.77278 6.2479 numMergedOcc 0
80 mol 181 unq 4 iso 0 dist 6.71012 6.6251 7.13252 9.94371 5.88819 6.22122 numMergedOcc 0
81 mol 181 unq 5 iso 0 dist 6.71012 6.6251 7.13252 5.98885 9.14057 7.99195 numMergedOcc 0
82 mol 181 unq 6 iso 0 dist 7.13543 5.77299 6.32777 10.7062 7.07409 6.59025 numMergedOcc 0
83 mol 181 unq 7 iso 0 dist 9.6668 9.34211 5.95304 9.15386 8.25067 8.90963 numMergedOcc 0
84 mol 181 unq 8 iso 0 dist 7.98142 5.63555 5.97685 7.63312 9.60512 5.9176 numMergedOcc 0
85 mol 181 unq 9 iso 0 dist 7.37327 5.63555 8.9289 7.63312 13.3389 5.9176 numMergedOcc 0
86 mol 181 unq 10 iso 0 dist 4.93785 7.77758 7.05653 7.81386 6.7991 5.94469 numMergedOcc 0
87 mol 188 unq 0 iso 0 dist 6.90541 10.5721 9.33696 13.353 12.0548 8.10214 numMergedOcc 0
88 mol 192 unq 0 iso 0 dist 8.36822 8.49529 7.33225 5.59424 5.71262 8.77999 numMergedOcc 0
89 mol 227 unq 0 iso 0 dist 8.17891 10.9607 7.57454 7.22101 6.43754 5.41321 numMergedOcc 0
90 mol 227 unq 1 iso 0 dist 6.95902 9.72615 7.57454 8.65997 6.43754 5.41321 numMergedOcc 0
91 mol 234 unq 0 iso 0 dist 9.5707 10.0059 7.43663 10.3625 5.9221 7.32499 numMergedOcc 0
92 mol 234 unq 1 iso 0 dist 9.39181 5.08515 7.94068 11.0622 13.2297 7.32499 numMergedOcc 0
93 mol 235 unq 0 iso 0 dist 8.21247 7.60081 7.95766 5.4638 4.65302 9.55668 numMergedOcc 0
94 mol 235 unq 1 iso 0 dist 8.21247 7.60081 7.95766 11.3258 6.43692 6.95126 numMergedOcc 0
95 mol 238 unq 0 iso 0 dist 6.05141 10.7081 8.09718 13.9668 13.171 7.57812 numMergedOcc 0
96 mol 238 unq 1 iso 0 dist 6.05141 10.7081 8.09718 16.4238 11.9142 9.24557 numMergedOcc 0
97 mol 238 unq 2 iso 0 dist 6.05141 5.50308 6.73446 13.9668 13.171 8.69104 numMergedOcc 0
98 mol 238 unq 3 iso 0 dist 8.14172 12.2874 8.90076 12.8275 5.11565 7.57812 numMergedOcc 0
99 mol 238 unq 4 iso 0 dist 8.14172 12.2874 8.90076 15.1497 11.0401 9.24557 numMergedOcc 0
100 mol 238 unq 5 iso 0 dist 8.14172 7.11984 6.62002 12.8275 5.11565 8.69104 numMergedOcc 0
101 mol 238 unq 6 iso 0 dist 8.09066 12.2874 8.09718 12.8275 13.171 7.57812 numMergedOcc 0
102 mol 238 unq 7 iso 0 dist 8.09066 12.2874 8.09718 15.1497 11.9142 9.24557 numMergedOcc 0
103 mol 238 unq 8 iso 0 dist 8.09066 7.11984 6.73446 12.8275 13.171 8.69104 numMergedOcc 0
104 mol 238 unq 9 iso 0 dist 6.77463 10.4017 8.90076 10.7456 5.11565 7.57812 numMergedOcc 0
105 mol 238 unq 10 iso 0 dist 6.77463 10.4017 8.90076 10.3007 11.0401 9.24557 numMergedOcc 0
106 mol 238 unq 11 iso 0 dist 6.77463 7.95232 6.62002 10.7456 5.11565 8.69104 numMergedOcc 0
107 mol 238 unq 12 iso 0 dist 7.2766 10.4017 8.09718 10.7456 13.171 7.57812 numMergedOcc 0
108 mol 238 unq 13 iso 0 dist 7.2766 10.4017 8.09718 10.3007 11.9142 9.24557 numMergedOcc 0
109 mol 238 unq 14 iso 0 dist 7.2766 7.95232 6.73446 10.7456 13.171 8.69104 numMergedOcc 0
110 mol 259 unq 0 iso 0 dist 7.48005 8.81835 8.71497 7.88519 11.6195 7.98231 numMergedOcc 0
111 mol 259 unq 1 iso 0 dist 7.48005 8.81835 8.71497 7.46176 5.79468 7.08526 numMergedOcc 0
112 mol 259 unq 2 iso 0 dist 8.37865 8.75685 8.71497 15.9169 11.6195 7.98231 numMergedOcc 0
113 mol 259 unq 3 iso 0 dist 8.37865 8.75685 8.71497 11.858 5.79468 7.08526 numMergedOcc 0
114 mol 264 unq 0 iso 0 dist 9.0012 7.52936 5.91213 6.24356 5.12409 5.93616 numMergedOcc 0
115 mol 264 unq 1 iso 0 dist 9.5784 7.52936 7.34094 6.24356 9.67998 5.93616 numMergedOcc 0
