0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 9.23213 5.08793 10.4498 5.24778 11.2072 11.2263 8.34244 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 9.23213 10.4498 5.08793 5.24778 11.2263 11.2072 8.34244 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 15.119 19.7849 14.129 9.85134 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 15.119 14.129 19.7849 9.85134 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 4.97119 10.741 6.41575 5.82366 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 4.97119 6.41575 10.741 5.82366 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 15.119 19.7849 13.212 9.85134 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 15.119 13.212 19.7849 9.85134 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 4.97119 10.741 6.41423 5.82366 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 4.97119 6.41423 10.741 5.82366 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 10.943 14.129 13.212 9.85134 numMergedOcc 0
11 mol 19 unq 4 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 10.943 13.212 14.129 9.85134 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 4.64838 6.41575 6.41423 5.82366 numMergedOcc 0
13 mol 19 unq 5 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 4.64838 6.41423 6.41575 5.82366 numMergedOcc 0
14 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 15.119 14.129 13.212 9.85134 numMergedOcc 0
15 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 15.119 13.212 14.129 9.85134 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 4.97119 6.41575 6.41423 5.82366 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 4.97119 6.41423 6.41575 5.82366 numMergedOcc 0
18 mol 19 unq 6 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 13.0631 13.287 10.3056 8.19695 numMergedOcc 0
19 mol 19 unq 6 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 13.0631 10.3056 13.287 8.19695 numMergedOcc 0
20 mol 19 unq 7 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 7.08342 8.40416 7.75618 7.02548 numMergedOcc 0
21 mol 19 unq 7 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.08342 7.75618 8.40416 7.02548 numMergedOcc 0
22 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 5.02241 6.91765 5.06052 4.29856 10.6808 6.14538 6.30987 numMergedOcc 0
23 mol 54 unq 0 iso 1 dist 6.83299 9.5589 5.08001 5.02241 5.06052 6.91765 4.29856 6.14538 10.6808 6.30987 numMergedOcc 0
24 mol 54 unq 1 iso 0 dist 9.5589 8.10861 16.3192 5.02241 6.91765 10.1332 4.29856 10.6808 10.4158 6.30987 numMergedOcc 0
25 mol 54 unq 1 iso 1 dist 8.10861 9.5589 16.3192 5.02241 10.1332 6.91765 4.29856 10.4158 10.6808 6.30987 numMergedOcc 0
26 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 5.02241 5.06052 10.1332 4.29856 6.14538 10.4158 6.30987 numMergedOcc 0
27 mol 54 unq 1 iso 1 dist 8.10861 6.83299 14.2075 5.02241 10.1332 5.06052 4.29856 10.4158 6.14538 6.30987 numMergedOcc 0
28 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 12.2123 9.86039 18.8985 9.11258 numMergedOcc 0
29 mol 58 unq 0 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 12.2123 18.8985 9.86039 9.11258 numMergedOcc 0
30 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 5.74871 12.3035 7.21955 8.71468 numMergedOcc 0
31 mol 58 unq 1 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.74871 7.21955 12.3035 8.71468 numMergedOcc 0
32 mol 59 unq 0 iso 0 dist 6.85766 7.71095 10.0246 6.71911 7.29033 5.33688 9.64444 14.8852 6.73347 9.2902 numMergedOcc 0
33 mol 59 unq 0 iso 1 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 9.64444 6.73347 14.8852 9.2902 numMergedOcc 0
34 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 5.11416 13.8696 9.24757 7.10439 numMergedOcc 0
35 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.11416 9.24757 13.8696 7.10439 numMergedOcc 0
36 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 5.11416 13.8696 13.0145 7.10439 numMergedOcc 0
37 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 5.11416 13.0145 13.8696 7.10439 numMergedOcc 0
38 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.11416 9.24757 13.0145 7.10439 numMergedOcc 0
39 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 5.11416 13.0145 9.24757 7.10439 numMergedOcc 0
40 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 10.6245 9.91958 9.5074 6.0652 numMergedOcc 0
41 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 10.6245 9.5074 9.91958 6.0652 numMergedOcc 0
42 mol 100 unq 1 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 10.6245 9.91958 18.0561 6.0652 numMergedOcc 0
43 mol 100 unq 1 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 10.6245 18.0561 9.91958 6.0652 numMergedOcc 0
44 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 10.6245 9.5074 18.0561 6.0652 numMergedOcc 0
45 mol 100 unq 1 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 10.6245 18.0561 9.5074 6.0652 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 6.40494 12.125 12.2743 7.52142 numMergedOcc 0
47 mol 115 unq 0 iso 1 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 6.40494 12.2743 12.125 7.52142 numMergedOcc 0
48 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 14.0688 13.3009 17.0848 7.70313 numMergedOcc 0
49 mol 115 unq 1 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 14.0688 17.0848 13.3009 7.70313 numMergedOcc 0
50 mol 115 unq 1 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 5.22052 11.0224 12.13 5.60389 numMergedOcc 0
51 mol 115 unq 1 iso 1 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 5.22052 12.13 11.0224 5.60389 numMergedOcc 0
52 mol 133 unq 0 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 5.92062 9.22661 13.5028 6.51868 numMergedOcc 0
53 mol 133 unq 0 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 5.92062 13.5028 9.22661 6.51868 numMergedOcc 0
54 mol 133 unq 1 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 6.61891 7.56378 11.8433 7.34698 numMergedOcc 0
55 mol 133 unq 1 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 6.61891 11.8433 7.56378 7.34698 numMergedOcc 0
56 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.71679 7.69991 6.23142 8.73604 numMergedOcc 0
57 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.71679 6.23142 7.69991 8.73604 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 4.57832 6.23142 9.94764 8.73604 numMergedOcc 0
59 mol 134 unq 1 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 4.57832 9.94764 6.23142 8.73604 numMergedOcc 0
60 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.29786 6.23142 9.94764 8.73604 numMergedOcc 0
61 mol 134 unq 2 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.29786 9.94764 6.23142 8.73604 numMergedOcc 0
62 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 6.89781 10.9606 10.3161 9.0529 numMergedOcc 0
63 mol 155 unq 0 iso 1 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 6.89781 10.3161 10.9606 9.0529 numMergedOcc 0
64 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 5.50031 12.2416 7.92304 9.80845 numMergedOcc 0
65 mol 155 unq 1 iso 1 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 5.50031 7.92304 12.2416 9.80845 numMergedOcc 0
66 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 6.89781 10.9606 10.3161 7.55196 numMergedOcc 0
67 mol 155 unq 2 iso 1 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 6.89781 10.3161 10.9606 7.55196 numMergedOcc 0
68 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 5.81563 13.0658 11.5017 6.05323 numMergedOcc 0
69 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 5.81563 11.5017 13.0658 6.05323 numMergedOcc 0
70 mol 156 unq 1 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 5.81563 13.0658 10.0063 6.05323 numMergedOcc 0
71 mol 156 unq 1 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 5.81563 10.0063 13.0658 6.05323 numMergedOcc 0
72 mol 156 unq 2 iso 0 dist 7.44554 8.94056 5.56175 6.27641 7.29758 8.67156 5.4555 9.44367 7.90267 5.81122 numMergedOcc 0
73 mol 156 unq 2 iso 1 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 5.4555 7.90267 9.44367 5.81122 numMergedOcc 0
74 mol 156 unq 3 iso 0 dist 7.44554 9.83699 8.38403 6.27641 7.29758 4.53931 5.4555 9.44367 10.3379 5.81122 numMergedOcc 0
75 mol 156 unq 3 iso 1 dist 9.83699 7.44554 8.38403 6.27641 4.53931 7.29758 5.4555 10.3379 9.44367 5.81122 numMergedOcc 0
76 mol 156 unq 3 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 5.4555 7.90267 10.3379 5.81122 numMergedOcc 0
77 mol 156 unq 3 iso 1 dist 9.83699 8.94056 11.2719 6.27641 4.53931 8.67156 5.4555 10.3379 7.90267 5.81122 numMergedOcc 0
78 mol 156 unq 1 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 5.81563 11.5017 10.0063 6.05323 numMergedOcc 0
79 mol 156 unq 1 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 5.81563 10.0063 11.5017 6.05323 numMergedOcc 0
80 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 8.29015 10.4182 11.6765 5.4997 numMergedOcc 0
81 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 8.29015 11.6765 10.4182 5.4997 numMergedOcc 0
82 mol 175 unq 1 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 14.7282 13.5281 16.8306 6.99693 numMergedOcc 0
83 mol 175 unq 1 iso 1 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 14.7282 16.8306 13.5281 6.99693 numMergedOcc 0
84 mol 175 unq 2 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 8.29015 10.4182 9.77896 5.4997 numMergedOcc 0
85 mol 175 unq 2 iso 1 dist 6.57069 9.0018 8.16421 9.8589 7.5414 8.22779 8.29015 9.77896 10.4182 5.4997 numMergedOcc 0
86 mol 175 unq 3 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 14.7282 13.5281 14.2813 6.99693 numMergedOcc 0
87 mol 175 unq 3 iso 1 dist 6.57069 9.0018 8.16421 9.8589 7.5414 8.22779 14.7282 14.2813 13.5281 6.99693 numMergedOcc 0
88 mol 175 unq 4 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 4.63177 10.4182 11.6765 5.4997 numMergedOcc 0
89 mol 175 unq 4 iso 1 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 4.63177 11.6765 10.4182 5.4997 numMergedOcc 0
90 mol 175 unq 5 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 9.30597 13.5281 16.8306 6.99693 numMergedOcc 0
91 mol 175 unq 5 iso 1 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 9.30597 16.8306 13.5281 6.99693 numMergedOcc 0
92 mol 175 unq 2 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 8.29015 11.6765 9.77896 5.4997 numMergedOcc 0
93 mol 175 unq 2 iso 1 dist 6.57069 5.6234 5.35493 9.8589 7.5414 10.5631 8.29015 9.77896 11.6765 5.4997 numMergedOcc 0
94 mol 175 unq 3 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 14.7282 16.8306 14.2813 6.99693 numMergedOcc 0
95 mol 175 unq 3 iso 1 dist 6.57069 5.6234 5.35493 9.8589 7.5414 10.5631 14.7282 14.2813 16.8306 6.99693 numMergedOcc 0
96 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 6.6251 6.2479 7.99195 9.06217 numMergedOcc 0
97 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 6.6251 7.99195 6.2479 9.06217 numMergedOcc 0
98 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 6.6251 6.2479 7.99195 7.13252 numMergedOcc 0
99 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 6.6251 7.99195 6.2479 7.13252 numMergedOcc 0
100 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 6.6251 6.2479 12.8533 9.06217 numMergedOcc 0
101 mol 181 unq 2 iso 1 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 6.6251 12.8533 6.2479 9.06217 numMergedOcc 0
102 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 6.6251 6.2479 12.8533 7.13252 numMergedOcc 0
103 mol 181 unq 3 iso 1 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 6.6251 12.8533 6.2479 7.13252 numMergedOcc 0
104 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 6.6251 7.99195 12.8533 9.06217 numMergedOcc 0
105 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 6.6251 12.8533 7.99195 9.06217 numMergedOcc 0
106 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 6.6251 7.99195 12.8533 7.13252 numMergedOcc 0
107 mol 181 unq 3 iso 1 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 6.6251 12.8533 7.99195 7.13252 numMergedOcc 0
108 mol 181 unq 4 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 5.77299 10.6908 11.3325 6.32777 numMergedOcc 0
109 mol 181 unq 4 iso 1 dist 9.09537 5.98885 10.1912 7.13543 5.95965 10.0524 5.77299 11.3325 10.6908 6.32777 numMergedOcc 0
110 mol 181 unq 4 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 5.63555 10.4943 5.9176 5.97685 numMergedOcc 0
111 mol 181 unq 4 iso 1 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 5.63555 5.9176 10.4943 5.97685 numMergedOcc 0
112 mol 181 unq 5 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 5.63555 10.4943 5.9176 8.9289 numMergedOcc 0
113 mol 181 unq 5 iso 1 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 5.63555 5.9176 10.4943 8.9289 numMergedOcc 0
114 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.9607 5.41321 9.74265 7.57454 numMergedOcc 0
115 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 10.9607 9.74265 5.41321 7.57454 numMergedOcc 0
116 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 10.0059 17.6227 12.6238 7.43663 numMergedOcc 0
117 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 10.0059 12.6238 17.6227 7.43663 numMergedOcc 0
118 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 8.81835 7.98231 11.6972 8.71497 numMergedOcc 0
119 mol 259 unq 0 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 8.81835 11.6972 7.98231 8.71497 numMergedOcc 0
120 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 8.81835 7.98231 7.08526 8.71497 numMergedOcc 0
121 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 8.81835 7.08526 7.98231 8.71497 numMergedOcc 0
122 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 8.81835 7.98231 15.8414 8.71497 numMergedOcc 0
123 mol 259 unq 2 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 8.81835 15.8414 7.98231 8.71497 numMergedOcc 0
124 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 8.81835 11.6972 7.08526 8.71497 numMergedOcc 0
125 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 8.81835 7.08526 11.6972 8.71497 numMergedOcc 0
126 mol 259 unq 2 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 8.81835 11.6972 15.8414 8.71497 numMergedOcc 0
127 mol 259 unq 2 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 8.81835 15.8414 11.6972 8.71497 numMergedOcc 0
128 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 8.81835 7.08526 15.8414 8.71497 numMergedOcc 0
129 mol 259 unq 2 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 8.81835 15.8414 7.08526 8.71497 numMergedOcc 0
130 mol 264 unq 0 iso 0 dist 9.361 6.24356 10.3202 9.0012 9.74238 5.12409 7.52936 13.2142 5.93616 5.91213 numMergedOcc 0
131 mol 264 unq 0 iso 1 dist 6.24356 9.361 10.3202 9.0012 5.12409 9.74238 7.52936 5.93616 13.2142 5.91213 numMergedOcc 0
132 mol 264 unq 1 iso 0 dist 9.361 6.24356 10.3202 9.5784 9.85579 9.67998 7.52936 13.2142 5.93616 7.34094 numMergedOcc 0
133 mol 264 unq 1 iso 1 dist 6.24356 9.361 10.3202 9.5784 9.67998 9.85579 7.52936 5.93616 13.2142 7.34094 numMergedOcc 0
