0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 9.23213 5.08793 10.4498 8.81979 5.63197 5.52201 9.14029 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.6994 7.15528 7.19817 8.81979 5.63197 5.52201 9.23213 5.08793 10.4498 9.14029 numMergedOcc 0
2 mol 0 unq 0 iso 2 dist 7.15528 9.6994 7.19817 9.23213 10.4498 5.08793 8.81979 5.52201 5.63197 9.14029 numMergedOcc 0
3 mol 0 unq 0 iso 3 dist 7.15528 9.6994 7.19817 8.81979 5.52201 5.63197 9.23213 10.4498 5.08793 9.14029 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 8.23643 11.0832 6.55187 12.7954 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 8.78293 5.31524 10.9543 12.7954 numMergedOcc 0
6 mol 19 unq 0 iso 2 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 8.23643 6.55187 11.0832 12.7954 numMergedOcc 0
7 mol 19 unq 0 iso 3 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 8.78293 10.9543 5.31524 12.7954 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 7.82528 10.4988 5.14627 14.7664 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 8.78293 5.31524 10.9543 14.7664 numMergedOcc 0
10 mol 19 unq 1 iso 2 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.82528 5.14627 10.4988 14.7664 numMergedOcc 0
11 mol 19 unq 1 iso 3 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 8.78293 10.9543 5.31524 14.7664 numMergedOcc 0
12 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 7.82528 10.4988 5.14627 11.0033 numMergedOcc 0
13 mol 19 unq 1 iso 1 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 8.23643 11.0832 6.55187 11.0033 numMergedOcc 0
14 mol 19 unq 1 iso 2 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.82528 5.14627 10.4988 11.0033 numMergedOcc 0
15 mol 19 unq 1 iso 3 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 8.23643 6.55187 11.0832 11.0033 numMergedOcc 0
16 mol 19 unq 2 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 8.23643 11.0832 12.3093 12.7954 numMergedOcc 0
17 mol 19 unq 2 iso 1 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 8.78293 5.31524 11.4401 12.7954 numMergedOcc 0
18 mol 19 unq 2 iso 2 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 8.23643 12.3093 11.0832 12.7954 numMergedOcc 0
19 mol 19 unq 2 iso 3 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 8.78293 11.4401 5.31524 12.7954 numMergedOcc 0
20 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 7.82528 10.4988 4.69858 14.7664 numMergedOcc 0
21 mol 19 unq 3 iso 1 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 8.78293 5.31524 11.4401 14.7664 numMergedOcc 0
22 mol 19 unq 3 iso 2 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 7.82528 4.69858 10.4988 14.7664 numMergedOcc 0
23 mol 19 unq 3 iso 3 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 8.78293 11.4401 5.31524 14.7664 numMergedOcc 0
24 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 7.82528 10.4988 4.69858 11.0033 numMergedOcc 0
25 mol 19 unq 3 iso 1 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 8.23643 11.0832 12.3093 11.0033 numMergedOcc 0
26 mol 19 unq 3 iso 2 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.82528 4.69858 10.4988 11.0033 numMergedOcc 0
27 mol 19 unq 3 iso 3 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 8.23643 12.3093 11.0832 11.0033 numMergedOcc 0
28 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 8.23643 6.55187 12.3093 12.7954 numMergedOcc 0
29 mol 19 unq 2 iso 1 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 8.78293 10.9543 11.4401 12.7954 numMergedOcc 0
30 mol 19 unq 2 iso 2 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 8.23643 12.3093 6.55187 12.7954 numMergedOcc 0
31 mol 19 unq 2 iso 3 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 8.78293 11.4401 10.9543 12.7954 numMergedOcc 0
32 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.82528 5.14627 4.69858 14.7664 numMergedOcc 0
33 mol 19 unq 3 iso 1 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 8.78293 10.9543 11.4401 14.7664 numMergedOcc 0
34 mol 19 unq 3 iso 2 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.82528 4.69858 5.14627 14.7664 numMergedOcc 0
35 mol 19 unq 3 iso 3 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 8.78293 11.4401 10.9543 14.7664 numMergedOcc 0
36 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.82528 5.14627 4.69858 11.0033 numMergedOcc 0
37 mol 19 unq 3 iso 1 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 8.23643 6.55187 12.3093 11.0033 numMergedOcc 0
38 mol 19 unq 3 iso 2 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.82528 4.69858 5.14627 11.0033 numMergedOcc 0
39 mol 19 unq 3 iso 3 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 8.23643 12.3093 6.55187 11.0033 numMergedOcc 0
40 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.31428 5.11205 6.75888 6.44201 numMergedOcc 0
41 mol 58 unq 0 iso 1 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 9.73139 5.24906 13.1021 6.44201 numMergedOcc 0
42 mol 58 unq 0 iso 2 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 6.31428 6.75888 5.11205 6.44201 numMergedOcc 0
43 mol 58 unq 0 iso 3 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.73139 13.1021 5.24906 6.44201 numMergedOcc 0
44 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.64585 10.2377 10.8939 12.0796 numMergedOcc 0
45 mol 115 unq 0 iso 1 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 9.66954 6.09023 4.61908 12.0796 numMergedOcc 0
46 mol 115 unq 0 iso 2 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.64585 10.8939 10.2377 12.0796 numMergedOcc 0
47 mol 115 unq 0 iso 3 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 9.66954 4.61908 6.09023 12.0796 numMergedOcc 0
48 mol 115 unq 1 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 9.14376 6.12943 4.62962 11.889 numMergedOcc 0
49 mol 115 unq 1 iso 1 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 6.99777 10.8292 11.7126 11.889 numMergedOcc 0
50 mol 115 unq 1 iso 2 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 9.14376 4.62962 6.12943 11.889 numMergedOcc 0
51 mol 115 unq 1 iso 3 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 6.99777 11.7126 10.8292 11.889 numMergedOcc 0
52 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 7.34519 7.41404 13.1312 12.7129 numMergedOcc 0
53 mol 127 unq 0 iso 1 dist 8.14887 9.30299 7.30196 7.34519 7.41404 13.1312 8.59981 14.9761 14.085 12.7129 numMergedOcc 0
54 mol 127 unq 0 iso 2 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 7.34519 13.1312 7.41404 12.7129 numMergedOcc 0
55 mol 127 unq 0 iso 3 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 8.59981 14.085 14.9761 12.7129 numMergedOcc 0
56 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 7.51198 5.86939 6.34186 7.63368 numMergedOcc 0
57 mol 155 unq 0 iso 1 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 9.14392 6.3845 12.1814 7.63368 numMergedOcc 0
58 mol 155 unq 0 iso 2 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 7.51198 6.34186 5.86939 7.63368 numMergedOcc 0
59 mol 155 unq 0 iso 3 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 9.14392 12.1814 6.3845 7.63368 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 6.71012 4.77278 9.14057 5.3528 numMergedOcc 0
61 mol 181 unq 0 iso 1 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 6.94688 6.25083 5.86342 5.3528 numMergedOcc 0
62 mol 181 unq 0 iso 2 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 6.71012 9.14057 4.77278 5.3528 numMergedOcc 0
63 mol 181 unq 0 iso 3 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 6.94688 5.86342 6.25083 5.3528 numMergedOcc 0
64 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 6.71012 4.77278 11.6919 5.3528 numMergedOcc 0
65 mol 181 unq 1 iso 1 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 6.94688 6.25083 6.80228 5.3528 numMergedOcc 0
66 mol 181 unq 1 iso 2 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 6.71012 11.6919 4.77278 5.3528 numMergedOcc 0
67 mol 181 unq 1 iso 3 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 6.94688 6.80228 6.25083 5.3528 numMergedOcc 0
68 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 6.71012 9.14057 11.6919 5.3528 numMergedOcc 0
69 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 6.94688 5.86342 6.80228 5.3528 numMergedOcc 0
70 mol 181 unq 1 iso 2 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 6.71012 11.6919 9.14057 5.3528 numMergedOcc 0
71 mol 181 unq 1 iso 3 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 6.94688 6.80228 5.86342 5.3528 numMergedOcc 0
72 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 7.13543 10.0524 5.95965 6.33699 numMergedOcc 0
73 mol 181 unq 2 iso 1 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 7.20046 5.4601 6.14208 6.33699 numMergedOcc 0
74 mol 181 unq 2 iso 2 dist 9.09537 5.98885 10.1912 7.20046 6.14208 5.4601 7.13543 5.95965 10.0524 6.33699 numMergedOcc 0
75 mol 181 unq 2 iso 3 dist 9.09537 5.98885 10.1912 7.13543 5.95965 10.0524 7.20046 6.14208 5.4601 6.33699 numMergedOcc 0
76 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 7.37327 11.1462 13.3389 6.46849 numMergedOcc 0
77 mol 181 unq 2 iso 1 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 7.98142 9.53462 9.60512 6.46849 numMergedOcc 0
78 mol 181 unq 2 iso 2 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 7.37327 13.3389 11.1462 6.46849 numMergedOcc 0
79 mol 181 unq 2 iso 3 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 7.98142 9.60512 9.53462 6.46849 numMergedOcc 0
80 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 6.97182 6.16485 5.33565 6.1175 11.5712 5.06792 5.93129 numMergedOcc 0
81 mol 214 unq 0 iso 1 dist 9.65138 7.14453 9.10746 6.1175 11.5712 5.06792 6.97182 6.16485 5.33565 5.93129 numMergedOcc 0
82 mol 214 unq 0 iso 2 dist 7.14453 9.65138 9.10746 6.97182 5.33565 6.16485 6.1175 5.06792 11.5712 5.93129 numMergedOcc 0
83 mol 214 unq 0 iso 3 dist 7.14453 9.65138 9.10746 6.1175 5.06792 11.5712 6.97182 5.33565 6.16485 5.93129 numMergedOcc 0
84 mol 214 unq 1 iso 0 dist 9.65138 8.85478 4.40923 6.97182 6.16485 8.47007 6.1175 11.5712 12.8334 5.93129 numMergedOcc 0
85 mol 214 unq 1 iso 1 dist 9.65138 8.85478 4.40923 6.1175 11.5712 12.8334 6.97182 6.16485 8.47007 5.93129 numMergedOcc 0
86 mol 214 unq 1 iso 2 dist 8.85478 9.65138 4.40923 6.97182 8.47007 6.16485 6.1175 12.8334 11.5712 5.93129 numMergedOcc 0
87 mol 214 unq 1 iso 3 dist 8.85478 9.65138 4.40923 6.1175 12.8334 11.5712 6.97182 8.47007 6.16485 5.93129 numMergedOcc 0
88 mol 214 unq 1 iso 0 dist 7.14453 8.85478 11.3796 6.97182 5.33565 8.47007 6.1175 5.06792 12.8334 5.93129 numMergedOcc 0
89 mol 214 unq 1 iso 1 dist 7.14453 8.85478 11.3796 6.1175 5.06792 12.8334 6.97182 5.33565 8.47007 5.93129 numMergedOcc 0
90 mol 214 unq 1 iso 2 dist 8.85478 7.14453 11.3796 6.97182 8.47007 5.33565 6.1175 12.8334 5.06792 5.93129 numMergedOcc 0
91 mol 214 unq 1 iso 3 dist 8.85478 7.14453 11.3796 6.1175 12.8334 5.06792 6.97182 8.47007 5.33565 5.93129 numMergedOcc 0
92 mol 220 unq 0 iso 0 dist 9.23153 8.24498 10.5449 6.84247 6.7067 6.05129 6.99002 15.9568 11.1321 11.5311 numMergedOcc 0
93 mol 220 unq 0 iso 1 dist 9.23153 8.24498 10.5449 6.99002 15.9568 11.1321 6.84247 6.7067 6.05129 11.5311 numMergedOcc 0
94 mol 220 unq 0 iso 2 dist 8.24498 9.23153 10.5449 6.84247 6.05129 6.7067 6.99002 11.1321 15.9568 11.5311 numMergedOcc 0
95 mol 220 unq 0 iso 3 dist 8.24498 9.23153 10.5449 6.99002 11.1321 15.9568 6.84247 6.05129 6.7067 11.5311 numMergedOcc 0
96 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 7.85175 11.216 11.4315 5.32617 numMergedOcc 0
97 mol 234 unq 0 iso 1 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 9.5707 15.9563 14.4106 5.32617 numMergedOcc 0
98 mol 234 unq 0 iso 2 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 7.85175 11.4315 11.216 5.32617 numMergedOcc 0
99 mol 234 unq 0 iso 3 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 9.5707 14.4106 15.9563 5.32617 numMergedOcc 0
100 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 7.17676 11.8759 11.3552 6.68463 9.07822 11.6837 7.88539 numMergedOcc 0
101 mol 236 unq 0 iso 1 dist 8.03456 6.84306 5.79505 6.68463 9.07822 11.6837 7.17676 11.8759 11.3552 7.88539 numMergedOcc 0
102 mol 236 unq 0 iso 2 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 6.68463 11.6837 9.07822 7.88539 numMergedOcc 0
103 mol 236 unq 0 iso 3 dist 6.84306 8.03456 5.79505 6.68463 11.6837 9.07822 7.17676 11.3552 11.8759 7.88539 numMergedOcc 0
104 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 7.17676 11.8759 6.04825 6.68463 9.07822 8.8265 7.88539 numMergedOcc 0
105 mol 236 unq 1 iso 1 dist 8.03456 9.99038 9.90963 6.68463 9.07822 8.8265 7.17676 11.8759 6.04825 7.88539 numMergedOcc 0
106 mol 236 unq 1 iso 2 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 6.68463 8.8265 9.07822 7.88539 numMergedOcc 0
107 mol 236 unq 1 iso 3 dist 9.99038 8.03456 9.90963 6.68463 8.8265 9.07822 7.17676 6.04825 11.8759 7.88539 numMergedOcc 0
108 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 6.68463 9.07822 5.80136 7.88539 numMergedOcc 0
109 mol 236 unq 2 iso 1 dist 8.03456 9.78037 6.96005 6.68463 9.07822 5.80136 7.17676 11.8759 12.6468 7.88539 numMergedOcc 0
110 mol 236 unq 2 iso 2 dist 9.78037 8.03456 6.96005 7.17676 12.6468 11.8759 6.68463 5.80136 9.07822 7.88539 numMergedOcc 0
111 mol 236 unq 2 iso 3 dist 9.78037 8.03456 6.96005 6.68463 5.80136 9.07822 7.17676 12.6468 11.8759 7.88539 numMergedOcc 0
112 mol 236 unq 3 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 6.68463 9.07822 6.2568 7.88539 numMergedOcc 0
113 mol 236 unq 3 iso 1 dist 8.03456 8.35971 14.2337 6.68463 9.07822 6.2568 7.17676 11.8759 6.40312 7.88539 numMergedOcc 0
114 mol 236 unq 3 iso 2 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 6.68463 6.2568 9.07822 7.88539 numMergedOcc 0
115 mol 236 unq 3 iso 3 dist 8.35971 8.03456 14.2337 6.68463 6.2568 9.07822 7.17676 6.40312 11.8759 7.88539 numMergedOcc 0
116 mol 236 unq 1 iso 0 dist 6.84306 9.99038 11.3368 7.17676 11.3552 6.04825 6.68463 11.6837 8.8265 7.88539 numMergedOcc 0
117 mol 236 unq 1 iso 1 dist 6.84306 9.99038 11.3368 6.68463 11.6837 8.8265 7.17676 11.3552 6.04825 7.88539 numMergedOcc 0
118 mol 236 unq 1 iso 2 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 6.68463 8.8265 11.6837 7.88539 numMergedOcc 0
119 mol 236 unq 1 iso 3 dist 9.99038 6.84306 11.3368 6.68463 8.8265 11.6837 7.17676 6.04825 11.3552 7.88539 numMergedOcc 0
120 mol 236 unq 2 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 6.68463 11.6837 5.80136 7.88539 numMergedOcc 0
121 mol 236 unq 2 iso 1 dist 6.84306 9.78037 11.8739 6.68463 11.6837 5.80136 7.17676 11.3552 12.6468 7.88539 numMergedOcc 0
122 mol 236 unq 2 iso 2 dist 9.78037 6.84306 11.8739 7.17676 12.6468 11.3552 6.68463 5.80136 11.6837 7.88539 numMergedOcc 0
123 mol 236 unq 2 iso 3 dist 9.78037 6.84306 11.8739 6.68463 5.80136 11.6837 7.17676 12.6468 11.3552 7.88539 numMergedOcc 0
124 mol 236 unq 3 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 6.68463 11.6837 6.2568 7.88539 numMergedOcc 0
125 mol 236 unq 3 iso 1 dist 6.84306 8.35971 14.7998 6.68463 11.6837 6.2568 7.17676 11.3552 6.40312 7.88539 numMergedOcc 0
126 mol 236 unq 3 iso 2 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 6.68463 6.2568 11.6837 7.88539 numMergedOcc 0
127 mol 236 unq 3 iso 3 dist 8.35971 6.84306 14.7998 6.68463 6.2568 11.6837 7.17676 6.40312 11.3552 7.88539 numMergedOcc 0
128 mol 236 unq 2 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 6.68463 8.8265 5.80136 7.88539 numMergedOcc 0
129 mol 236 unq 2 iso 1 dist 9.99038 9.78037 11.1557 6.68463 8.8265 5.80136 7.17676 6.04825 12.6468 7.88539 numMergedOcc 0
130 mol 236 unq 2 iso 2 dist 9.78037 9.99038 11.1557 7.17676 12.6468 6.04825 6.68463 5.80136 8.8265 7.88539 numMergedOcc 0
131 mol 236 unq 2 iso 3 dist 9.78037 9.99038 11.1557 6.68463 5.80136 8.8265 7.17676 12.6468 6.04825 7.88539 numMergedOcc 0
132 mol 236 unq 3 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 6.68463 8.8265 6.2568 7.88539 numMergedOcc 0
133 mol 236 unq 3 iso 1 dist 9.99038 8.35971 10.7497 6.68463 8.8265 6.2568 7.17676 6.04825 6.40312 7.88539 numMergedOcc 0
134 mol 236 unq 3 iso 2 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 6.68463 6.2568 8.8265 7.88539 numMergedOcc 0
135 mol 236 unq 3 iso 3 dist 8.35971 9.99038 10.7497 6.68463 6.2568 8.8265 7.17676 6.40312 6.04825 7.88539 numMergedOcc 0
136 mol 236 unq 3 iso 0 dist 9.78037 8.35971 12.0369 7.17676 12.6468 6.40312 6.68463 5.80136 6.2568 7.88539 numMergedOcc 0
137 mol 236 unq 3 iso 1 dist 9.78037 8.35971 12.0369 6.68463 5.80136 6.2568 7.17676 12.6468 6.40312 7.88539 numMergedOcc 0
138 mol 236 unq 3 iso 2 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 6.68463 6.2568 5.80136 7.88539 numMergedOcc 0
139 mol 236 unq 3 iso 3 dist 8.35971 9.78037 12.0369 6.68463 6.2568 5.80136 7.17676 6.40312 12.6468 7.88539 numMergedOcc 0
140 mol 264 unq 0 iso 0 dist 9.361 6.24356 10.3202 9.0012 9.74238 5.12409 9.5784 9.85579 9.67998 6.20393 numMergedOcc 0
141 mol 264 unq 0 iso 1 dist 9.361 6.24356 10.3202 9.5784 9.85579 9.67998 9.0012 9.74238 5.12409 6.20393 numMergedOcc 0
142 mol 264 unq 0 iso 2 dist 6.24356 9.361 10.3202 9.0012 5.12409 9.74238 9.5784 9.67998 9.85579 6.20393 numMergedOcc 0
143 mol 264 unq 0 iso 3 dist 6.24356 9.361 10.3202 9.5784 9.67998 9.85579 9.0012 5.12409 9.74238 6.20393 numMergedOcc 0
144 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 9.09992 10.841 5.63139 6.16449 4.72202 8.52877 9.75529 numMergedOcc 0
145 mol 272 unq 0 iso 1 dist 9.97651 8.46116 8.12676 6.16449 4.72202 8.52877 9.09992 10.841 5.63139 9.75529 numMergedOcc 0
146 mol 272 unq 0 iso 2 dist 8.46116 9.97651 8.12676 9.09992 5.63139 10.841 6.16449 8.52877 4.72202 9.75529 numMergedOcc 0
147 mol 272 unq 0 iso 3 dist 8.46116 9.97651 8.12676 6.16449 8.52877 4.72202 9.09992 5.63139 10.841 9.75529 numMergedOcc 0
