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 10.5461 12.2041 10.515 7.10621 8.72114 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 9.36807 10.515 13.2247 10.5461 6.36911 13.8829 8.72114 9.97624 5.03847 12.2333 12.2041 6.06176 8.41585 10.3148 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 7.67038 10.4091 6.20943 15.119 19.7849 9.85134 10.943 4.54938 7.34551 5.14627 8.4674 14.129 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 10.943 14.129 9.85134 15.119 10.4091 7.34551 10.4988 7.20519 19.7849 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 7.67038 10.4091 6.20943 15.119 19.7849 9.85134 10.943 6.864 7.07775 4.69858 4.51865 13.212 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 10.943 13.212 9.85134 15.119 10.4091 7.07775 10.4988 7.20519 19.7849 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 7.67038 10.4091 6.20943 4.97119 10.741 5.82366 4.64838 4.54938 7.34551 5.14627 8.4674 6.41575 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 4.64838 6.41575 5.82366 4.97119 10.4091 7.34551 10.4988 7.20519 10.741 numMergedOcc 0
8 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 6.864 7.07775 4.69858 4.51865 6.41423 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 4.64838 6.41423 5.82366 4.97119 10.4091 7.07775 10.4988 7.20519 10.741 numMergedOcc 0
10 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 10.4091 7.67038 6.74265 4.51865 13.287 numMergedOcc 0
11 mol 19 unq 4 iso 1 dist 4.51865 8.58657 6.74265 7.07775 10.4091 9.80108 13.0631 13.287 8.19695 9.32205 6.864 7.67038 5.5841 7.20519 10.3056 numMergedOcc 0
12 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 10.4091 7.67038 6.74265 4.51865 8.40416 numMergedOcc 0
13 mol 19 unq 5 iso 1 dist 4.51865 8.58657 6.74265 7.07775 10.4091 9.80108 7.08342 8.40416 7.02548 4.96411 6.864 7.67038 5.5841 7.20519 7.75618 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 10.943 14.129 9.85134 15.119 4.51865 5.80928 4.69858 6.864 13.212 numMergedOcc 0
15 mol 19 unq 1 iso 1 dist 6.864 7.82528 4.69858 7.67038 4.51865 6.20943 15.119 13.212 9.85134 10.943 4.54938 5.80928 5.14627 8.4674 14.129 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 4.64838 6.41575 5.82366 4.97119 4.51865 5.80928 4.69858 6.864 6.41423 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 6.864 7.82528 4.69858 7.67038 4.51865 6.20943 4.97119 6.41423 5.82366 4.64838 4.54938 5.80928 5.14627 8.4674 6.41575 numMergedOcc 0
18 mol 19 unq 4 iso 0 dist 4.54938 7.82528 5.14627 7.67038 8.4674 6.20943 15.119 14.129 9.85134 10.943 6.864 5.80928 4.69858 4.51865 13.212 numMergedOcc 0
19 mol 19 unq 4 iso 1 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 10.943 13.212 9.85134 15.119 8.4674 5.80928 5.14627 4.54938 14.129 numMergedOcc 0
20 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 7.67038 8.4674 6.20943 4.97119 6.41575 5.82366 4.64838 6.864 5.80928 4.69858 4.51865 6.41423 numMergedOcc 0
21 mol 19 unq 5 iso 1 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 4.64838 6.41423 5.82366 4.97119 8.4674 5.80928 5.14627 4.54938 6.41575 numMergedOcc 0
22 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 11.396 10.6169 5.11205 6.64012 12.3035 numMergedOcc 0
23 mol 58 unq 0 iso 1 dist 6.64012 7.58407 5.11205 11.0466 11.396 6.40841 11.387 12.3035 8.71468 7.12541 13.4544 10.6169 6.75888 7.32874 7.21955 numMergedOcc 0
24 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 11.396 10.6169 5.11205 9.4099 12.3035 numMergedOcc 0
25 mol 58 unq 1 iso 1 dist 9.4099 6.31428 5.11205 5.90225 11.396 6.40841 5.74871 12.3035 8.71468 7.12541 9.55426 10.6169 6.75888 7.32874 7.21955 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 6.86465 8.63333 6.47744 10.8153 10.3224 6.46761 10.2049 8.80614 9.11258 5.85698 13.497 9.94737 5.24906 6.64012 9.86039 numMergedOcc 0
27 mol 58 unq 2 iso 1 dist 6.64012 6.46761 5.24906 10.8153 13.497 8.63333 5.85698 9.86039 9.11258 10.2049 10.3224 9.94737 6.47744 6.86465 8.80614 numMergedOcc 0
28 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 14.5953 15.4557 9.73139 10.2049 8.80614 9.11258 12.2123 13.497 9.94737 5.24906 9.4099 9.86039 numMergedOcc 0
29 mol 58 unq 3 iso 1 dist 9.4099 9.73139 5.24906 14.5953 13.497 8.63333 12.2123 9.86039 9.11258 10.2049 15.4557 9.94737 6.47744 6.86465 8.80614 numMergedOcc 0
30 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 20.7459 19.4068 13.1021 9.55426 18.8985 numMergedOcc 0
31 mol 58 unq 4 iso 1 dist 9.55426 9.73139 13.1021 14.5953 20.7459 8.63333 12.2123 18.8985 9.11258 10.2049 15.4557 19.4068 6.47744 6.86465 8.80614 numMergedOcc 0
32 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 8.62958 10.3224 6.46761 5.49591 8.80614 9.11258 5.85698 12.1902 9.94737 5.24906 6.64012 9.86039 numMergedOcc 0
33 mol 58 unq 5 iso 1 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 5.85698 9.86039 9.11258 5.49591 10.3224 9.94737 6.47744 6.35756 8.80614 numMergedOcc 0
34 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 14.176 15.4557 9.73139 5.49591 8.80614 9.11258 12.2123 12.1902 9.94737 5.24906 9.4099 9.86039 numMergedOcc 0
35 mol 58 unq 6 iso 1 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 12.2123 9.86039 9.11258 5.49591 15.4557 9.94737 6.47744 6.35756 8.80614 numMergedOcc 0
36 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 20.984 19.4068 13.1021 9.55426 18.8985 numMergedOcc 0
37 mol 58 unq 7 iso 1 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 12.2123 18.8985 9.11258 5.49591 15.4557 19.4068 6.47744 6.35756 8.80614 numMergedOcc 0
38 mol 58 unq 6 iso 0 dist 6.64012 6.46761 5.24906 6.47414 9.4099 9.73139 5.85698 9.86039 9.11258 12.2123 13.4544 10.6169 13.1021 9.55426 18.8985 numMergedOcc 0
39 mol 58 unq 6 iso 1 dist 9.55426 9.73139 13.1021 6.47414 13.4544 6.46761 12.2123 18.8985 9.11258 5.85698 9.4099 10.6169 5.24906 6.64012 9.86039 numMergedOcc 0
40 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 6.47414 9.4099 6.31428 11.387 12.3035 8.71468 5.74871 13.4544 10.6169 6.75888 9.55426 7.21955 numMergedOcc 0
41 mol 58 unq 1 iso 1 dist 9.55426 6.31428 6.75888 6.47414 13.4544 7.58407 5.74871 7.21955 8.71468 11.387 9.4099 10.6169 5.11205 6.64012 12.3035 numMergedOcc 0
42 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 13.1662 11.8291 9.77992 5.93252 13.6162 numMergedOcc 0
43 mol 73 unq 0 iso 1 dist 5.93252 5.64598 9.77992 7.4697 13.1662 8.70133 8.44406 13.6162 7.10439 5.11416 8.9232 11.8291 13.4082 9.38498 13.8696 numMergedOcc 0
44 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 9.96396 15.7123 7.41074 6.19304 9.24757 numMergedOcc 0
45 mol 73 unq 1 iso 1 dist 6.19304 4.65521 7.41074 5.4148 9.96396 8.70133 6.56633 9.24757 7.10439 5.11416 10.2049 15.7123 13.4082 9.38498 13.8696 numMergedOcc 0
46 mol 73 unq 1 iso 0 dist 5.93252 5.64598 9.77992 7.4697 13.1662 8.70133 8.44406 13.6162 7.10439 5.11416 11.4799 16.5689 7.41074 9.96396 9.24757 numMergedOcc 0
47 mol 73 unq 1 iso 1 dist 9.96396 8.70133 7.41074 7.4697 11.4799 5.64598 5.11416 9.24757 7.10439 8.44406 13.1662 16.5689 9.77992 5.93252 13.6162 numMergedOcc 0
48 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 16.0453 21.7714 15.9882 9.75218 13.0145 numMergedOcc 0
49 mol 73 unq 2 iso 1 dist 9.75218 8.70133 15.9882 7.4697 16.0453 5.64598 5.11416 13.0145 7.10439 8.44406 13.1662 21.7714 9.77992 5.93252 13.6162 numMergedOcc 0
50 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 11.4799 16.5689 7.41074 6.19304 9.24757 numMergedOcc 0
51 mol 73 unq 3 iso 1 dist 6.19304 4.65521 7.41074 5.7113 11.4799 5.64598 6.56633 9.24757 7.10439 8.44406 11.379 16.5689 9.77992 5.93252 13.6162 numMergedOcc 0
52 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 5.4148 9.96396 8.70133 6.56633 9.24757 7.10439 5.11416 11.6369 12.016 15.9882 9.75218 13.0145 numMergedOcc 0
53 mol 73 unq 2 iso 1 dist 9.75218 8.70133 15.9882 5.4148 11.6369 4.65521 5.11416 13.0145 7.10439 6.56633 9.96396 12.016 7.41074 6.19304 9.24757 numMergedOcc 0
54 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 12.4603 12.6489 7.44174 15.5019 17.9198 7.26955 10.314 10.3704 4.85907 7.36192 9.87172 14.2293 numMergedOcc 0
55 mol 119 unq 0 iso 1 dist 9.87172 7.44174 7.36192 12.4603 10.3704 9.63176 10.314 14.2293 7.26955 15.5019 12.6489 4.85907 10.6679 8.73993 17.9198 numMergedOcc 0
56 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 6.49416 5.00526 5.41704 8.94367 6.23142 numMergedOcc 0
57 mol 134 unq 0 iso 1 dist 8.94367 8.79571 5.41704 8.80819 6.49416 8.6355 4.57832 6.23142 8.73604 5.71679 11.9139 5.00526 10.1448 6.54501 7.69991 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 6.54501 8.6355 10.1448 8.80819 11.9139 8.79571 5.71679 7.69991 8.73604 4.57832 12.5075 11.3271 6.17103 9.86662 9.94764 numMergedOcc 0
59 mol 134 unq 1 iso 1 dist 9.86662 8.79571 6.17103 8.80819 12.5075 8.6355 4.57832 9.94764 8.73604 5.71679 11.9139 11.3271 10.1448 6.54501 7.69991 numMergedOcc 0
60 mol 134 unq 2 iso 0 dist 6.54501 8.6355 10.1448 5.00817 9.5126 5.42582 5.71679 7.69991 8.73604 5.29786 6.49416 5.00526 5.41704 6.37586 6.23142 numMergedOcc 0
61 mol 134 unq 2 iso 1 dist 6.37586 5.42582 5.41704 5.00817 6.49416 8.6355 5.29786 6.23142 8.73604 5.71679 9.5126 5.00526 10.1448 6.54501 7.69991 numMergedOcc 0
62 mol 134 unq 3 iso 0 dist 6.54501 8.6355 10.1448 5.00817 9.5126 5.42582 5.71679 7.69991 8.73604 5.29786 12.5075 11.3271 6.17103 9.71307 9.94764 numMergedOcc 0
63 mol 134 unq 3 iso 1 dist 9.71307 5.42582 6.17103 5.00817 12.5075 8.6355 5.29786 9.94764 8.73604 5.71679 9.5126 11.3271 10.1448 6.54501 7.69991 numMergedOcc 0
64 mol 134 unq 4 iso 0 dist 8.94367 8.79571 5.41704 5.49782 6.37586 5.42582 4.57832 6.23142 8.73604 5.29786 9.86662 6.81259 6.17103 9.71307 9.94764 numMergedOcc 0
65 mol 134 unq 4 iso 1 dist 9.71307 5.42582 6.17103 5.49782 9.86662 8.79571 5.29786 9.94764 8.73604 4.57832 6.37586 6.81259 5.41704 8.94367 6.23142 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 5.49782 8.94367 8.79571 5.29786 6.23142 8.73604 4.57832 9.71307 6.81259 6.17103 9.86662 9.94764 numMergedOcc 0
67 mol 134 unq 1 iso 1 dist 9.86662 8.79571 6.17103 5.49782 9.71307 5.42582 4.57832 9.94764 8.73604 5.29786 8.94367 6.81259 5.41704 6.37586 6.23142 numMergedOcc 0
68 mol 134 unq 3 iso 0 dist 6.49416 8.6355 5.41704 8.80819 8.94367 8.79571 5.71679 6.23142 8.73604 4.57832 12.5075 6.81259 6.17103 9.86662 9.94764 numMergedOcc 0
69 mol 134 unq 3 iso 1 dist 9.86662 8.79571 6.17103 8.80819 12.5075 8.6355 4.57832 9.94764 8.73604 5.71679 8.94367 6.81259 5.41704 6.49416 6.23142 numMergedOcc 0
70 mol 134 unq 4 iso 0 dist 6.49416 8.6355 5.41704 5.00817 6.37586 5.42582 5.71679 6.23142 8.73604 5.29786 12.5075 6.81259 6.17103 9.71307 9.94764 numMergedOcc 0
71 mol 134 unq 4 iso 1 dist 9.71307 5.42582 6.17103 5.00817 12.5075 8.6355 5.29786 9.94764 8.73604 5.71679 6.37586 6.81259 5.41704 6.49416 6.23142 numMergedOcc 0
72 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 10.2463 7.66392 12.1814 6.43582 10.3161 numMergedOcc 0
73 mol 155 unq 0 iso 1 dist 6.43582 9.14392 12.1814 5.71071 10.2463 7.16254 6.89781 10.3161 9.0529 10.4923 7.46303 7.66392 6.3845 6.23493 10.9606 numMergedOcc 0
74 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 10.2463 7.66392 6.34186 6.43582 7.92304 numMergedOcc 0
75 mol 155 unq 1 iso 1 dist 6.43582 7.51198 6.34186 5.71071 10.2463 9.86313 5.50031 7.92304 9.80845 11.0769 7.46303 7.66392 5.86939 6.23493 12.2416 numMergedOcc 0
76 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 10.2463 7.66392 6.34186 6.43582 10.3161 numMergedOcc 0
77 mol 155 unq 2 iso 1 dist 6.43582 7.51198 6.34186 5.71071 10.2463 9.86313 6.89781 10.3161 7.55196 10.4923 7.46303 7.66392 5.86939 6.23493 10.9606 numMergedOcc 0
78 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 5.6234 6.2715 10.5631 9.92231 11.6765 numMergedOcc 0
79 mol 175 unq 0 iso 1 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 4.63177 11.6765 5.4997 8.29015 7.652 6.2715 8.22779 9.0018 10.4182 numMergedOcc 0
80 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 5.6234 6.2715 10.5631 9.92231 16.8306 numMergedOcc 0
81 mol 175 unq 1 iso 1 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 9.30597 16.8306 6.99693 14.7282 7.652 6.2715 8.22779 9.0018 13.5281 numMergedOcc 0
82 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 9.92231 6.2715 10.5631 5.6234 11.6765 numMergedOcc 0
83 mol 175 unq 2 iso 1 dist 5.6234 9.8589 10.5631 7.42466 9.92231 7.24908 8.29015 11.6765 5.4997 4.63177 9.0018 6.2715 8.22779 7.652 10.4182 numMergedOcc 0
84 mol 175 unq 3 iso 0 dist 7.652 7.24908 8.22779 7.42466 9.0018 9.8589 4.63177 10.4182 5.4997 8.29015 10.2623 8.16421 7.5414 6.57069 9.77896 numMergedOcc 0
85 mol 175 unq 3 iso 1 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 8.29015 9.77896 5.4997 4.63177 9.0018 8.16421 8.22779 7.652 10.4182 numMergedOcc 0
86 mol 175 unq 4 iso 0 dist 7.652 7.24908 8.22779 7.42466 9.0018 9.8589 9.30597 13.5281 6.99693 14.7282 9.92231 6.2715 10.5631 5.6234 16.8306 numMergedOcc 0
87 mol 175 unq 4 iso 1 dist 5.6234 9.8589 10.5631 7.42466 9.92231 7.24908 14.7282 16.8306 6.99693 9.30597 9.0018 6.2715 8.22779 7.652 13.5281 numMergedOcc 0
88 mol 175 unq 5 iso 0 dist 7.652 7.24908 8.22779 7.42466 9.0018 9.8589 9.30597 13.5281 6.99693 14.7282 10.2623 8.16421 7.5414 6.57069 14.2813 numMergedOcc 0
89 mol 175 unq 5 iso 1 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 14.7282 14.2813 6.99693 9.30597 9.0018 8.16421 8.22779 7.652 13.5281 numMergedOcc 0
90 mol 175 unq 1 iso 0 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 4.63177 11.6765 5.4997 8.29015 10.2623 5.35493 7.5414 6.57069 9.77896 numMergedOcc 0
91 mol 175 unq 1 iso 1 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 8.29015 9.77896 5.4997 4.63177 5.6234 5.35493 10.5631 9.92231 11.6765 numMergedOcc 0
92 mol 175 unq 2 iso 0 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 9.30597 16.8306 6.99693 14.7282 10.2623 5.35493 7.5414 6.57069 14.2813 numMergedOcc 0
93 mol 175 unq 2 iso 1 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 14.7282 14.2813 6.99693 9.30597 5.6234 5.35493 10.5631 9.92231 16.8306 numMergedOcc 0
94 mol 227 unq 0 iso 0 dist 8.65997 6.95902 6.43754 5.22356 7.22101 8.17891 9.72615 5.41321 7.57454 10.9607 10.8157 4.39704 9.13836 7.09863 9.74265 numMergedOcc 0
95 mol 227 unq 0 iso 1 dist 7.09863 8.17891 9.13836 5.22356 10.8157 6.95902 10.9607 9.74265 7.57454 9.72615 7.22101 4.39704 6.43754 8.65997 5.41321 numMergedOcc 0
96 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 12.0576 15.8535 5.31048 5.30224 10.4552 numMergedOcc 0
97 mol 259 unq 0 iso 1 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 8.75685 10.4552 8.71497 8.81835 15.9169 15.8535 11.6195 7.88519 7.98231 numMergedOcc 0
98 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 12.0576 16.9228 5.31048 5.30224 10.4552 numMergedOcc 0
99 mol 259 unq 1 iso 1 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 8.75685 10.4552 8.71497 8.81835 18.2309 16.9228 11.8736 7.84554 11.6972 numMergedOcc 0
100 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 12.0576 9.98105 5.31048 5.30224 10.4552 numMergedOcc 0
101 mol 259 unq 2 iso 1 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 8.75685 10.4552 8.71497 8.81835 11.858 9.98105 5.79468 7.46176 7.08526 numMergedOcc 0
102 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 20.3294 17.9439 12.6649 9.18903 15.8414 numMergedOcc 0
103 mol 259 unq 3 iso 1 dist 9.18903 7.48005 12.6649 12.5353 20.3294 8.37865 8.81835 15.8414 8.71497 8.75685 12.0576 17.9439 5.31048 5.30224 10.4552 numMergedOcc 0
