0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 8.43054 4.65873 9.81307 4.68733 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 8.43054 9.81307 4.65873 4.68733 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 7.685 8.43188 10.3635 7.6114 6.10919 5.86705 7.1845 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 7.6114 5.86705 6.10919 7.1845 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 9.33906 6.42339 5.1274 6.00679 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 9.33906 5.1274 6.42339 6.00679 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 6.77912 12.0644 7.11552 7.12321 4.27726 7.47371 9.88768 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 7.12321 7.47371 4.27726 9.88768 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 9.55118 5.69391 9.78221 6.74416 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 9.55118 9.78221 5.69391 6.74416 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 9.10345 13.4212 11.6634 5.63793 numMergedOcc 0
11 mol 72 unq 2 iso 1 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 9.10345 11.6634 13.4212 5.63793 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 9.73086 17.4121 5.70116 6.15714 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 9.73086 5.70116 17.4121 6.15714 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 9.73086 17.4121 14.844 6.15714 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 9.73086 14.844 17.4121 6.15714 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 9.73086 5.70116 14.844 6.15714 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 9.73086 14.844 5.70116 6.15714 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 7.82475 5.43561 5.9143 12.5061 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.82475 5.9143 5.43561 12.5061 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 5.35782 6.30222 5.47563 12.1093 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 5.35782 5.47563 6.30222 12.1093 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 7.82475 5.43561 5.25234 12.5061 numMergedOcc 0
23 mol 100 unq 2 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 7.82475 5.25234 5.43561 12.5061 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 5.35782 6.30222 5.03232 12.1093 numMergedOcc 0
25 mol 100 unq 3 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 5.35782 5.03232 6.30222 12.1093 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.82475 5.9143 5.25234 12.5061 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 7.82475 5.25234 5.9143 12.5061 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 5.35782 5.47563 5.03232 12.1093 numMergedOcc 0
29 mol 100 unq 3 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 5.35782 5.03232 5.47563 12.1093 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 7.69765 10.3209 4.48636 9.13361 numMergedOcc 0
31 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69765 4.48636 10.3209 9.13361 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 9.42082 15.3161 6.63111 6.49835 numMergedOcc 0
33 mol 115 unq 1 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 9.42082 6.63111 15.3161 6.49835 numMergedOcc 0
34 mol 115 unq 2 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 7.69765 10.3209 11.835 9.13361 numMergedOcc 0
35 mol 115 unq 2 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69765 11.835 10.3209 9.13361 numMergedOcc 0
36 mol 115 unq 3 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 9.42082 15.3161 6.07067 6.49835 numMergedOcc 0
37 mol 115 unq 3 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 9.42082 6.07067 15.3161 6.49835 numMergedOcc 0
38 mol 115 unq 4 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 6.39384 6.63111 6.07067 6.49835 numMergedOcc 0
39 mol 115 unq 4 iso 1 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 6.39384 6.07067 6.63111 6.49835 numMergedOcc 0
40 mol 115 unq 5 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 6.39384 6.63111 6.07067 5.65471 numMergedOcc 0
41 mol 115 unq 5 iso 1 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 6.39384 6.07067 6.63111 5.65471 numMergedOcc 0
42 mol 115 unq 6 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 6.24825 6.95773 6.01673 5.78043 numMergedOcc 0
43 mol 115 unq 6 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 6.24825 6.01673 6.95773 5.78043 numMergedOcc 0
44 mol 115 unq 2 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69765 4.48636 11.835 9.13361 numMergedOcc 0
45 mol 115 unq 2 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69765 11.835 4.48636 9.13361 numMergedOcc 0
46 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 9.42082 6.63111 6.07067 6.49835 numMergedOcc 0
47 mol 115 unq 3 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 9.42082 6.07067 6.63111 6.49835 numMergedOcc 0
48 mol 117 unq 0 iso 0 dist 9.84395 7.90328 13.1058 6.62561 11.3679 4.91401 6.10127 6.57678 10.5783 6.95589 numMergedOcc 0
49 mol 117 unq 0 iso 1 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 6.10127 10.5783 6.57678 6.95589 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 7.21868 8.06642 4.00092 5.67107 numMergedOcc 0
51 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 7.21868 4.00092 8.06642 5.67107 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 9.33924 6.95573 10.2026 6.0991 numMergedOcc 0
53 mol 134 unq 1 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 9.33924 10.2026 6.95573 6.0991 numMergedOcc 0
54 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 7.93372 8.06642 4.00092 5.67107 numMergedOcc 0
55 mol 134 unq 2 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 7.93372 4.00092 8.06642 5.67107 numMergedOcc 0
56 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 7.81207 4.67662 5.81599 5.26247 numMergedOcc 0
57 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 7.81207 5.81599 4.67662 5.26247 numMergedOcc 0
58 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 7.18002 13.5913 9.99555 12.2806 numMergedOcc 0
59 mol 142 unq 1 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 7.18002 9.99555 13.5913 12.2806 numMergedOcc 0
60 mol 142 unq 2 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 7.81207 4.67662 11.1 5.26247 numMergedOcc 0
61 mol 142 unq 2 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 7.81207 11.1 4.67662 5.26247 numMergedOcc 0
62 mol 142 unq 3 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 7.18002 13.5913 6.52253 12.2806 numMergedOcc 0
63 mol 142 unq 3 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 7.18002 6.52253 13.5913 12.2806 numMergedOcc 0
64 mol 142 unq 4 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 6.14151 4.67662 5.81599 5.26247 numMergedOcc 0
65 mol 142 unq 4 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 6.14151 5.81599 4.67662 5.26247 numMergedOcc 0
66 mol 142 unq 2 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 7.81207 5.81599 11.1 5.26247 numMergedOcc 0
67 mol 142 unq 2 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 7.81207 11.1 5.81599 5.26247 numMergedOcc 0
68 mol 142 unq 3 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 7.18002 9.99555 6.52253 12.2806 numMergedOcc 0
69 mol 142 unq 3 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 7.18002 6.52253 9.99555 12.2806 numMergedOcc 0
70 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 8.97626 9.16779 4.91785 12.0485 numMergedOcc 0
71 mol 155 unq 0 iso 1 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 8.97626 4.91785 9.16779 12.0485 numMergedOcc 0
72 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 8.97626 9.16779 4.91785 4.48516 numMergedOcc 0
73 mol 155 unq 1 iso 1 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 8.97626 4.91785 9.16779 4.48516 numMergedOcc 0
74 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 8.96511 10.5783 5.96647 9.11204 8.44333 6.8202 5.87125 numMergedOcc 0
75 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 8.96511 5.96647 10.5783 9.11204 6.8202 8.44333 5.87125 numMergedOcc 0
76 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 8.96511 10.5783 12.075 9.11204 8.44333 14.9499 5.87125 numMergedOcc 0
77 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 8.96511 12.075 10.5783 9.11204 14.9499 8.44333 5.87125 numMergedOcc 0
78 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 8.96511 10.5783 9.92132 9.11204 8.44333 14.2467 5.87125 numMergedOcc 0
79 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 8.96511 9.92132 10.5783 9.11204 14.2467 8.44333 5.87125 numMergedOcc 0
80 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 8.96511 5.96647 12.075 9.11204 6.8202 14.9499 5.87125 numMergedOcc 0
81 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 8.96511 12.075 5.96647 9.11204 14.9499 6.8202 5.87125 numMergedOcc 0
82 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 8.96511 5.96647 9.92132 9.11204 6.8202 14.2467 5.87125 numMergedOcc 0
83 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 8.96511 9.92132 5.96647 9.11204 14.2467 6.8202 5.87125 numMergedOcc 0
84 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 8.96511 12.075 9.92132 9.11204 14.9499 14.2467 5.87125 numMergedOcc 0
85 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 8.96511 9.92132 12.075 9.11204 14.2467 14.9499 5.87125 numMergedOcc 0
86 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 6.64173 6.8757 10.6474 4.48306 numMergedOcc 0
87 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 6.64173 10.6474 6.8757 4.48306 numMergedOcc 0
88 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 9.01624 5.71898 5.93724 12.2513 numMergedOcc 0
89 mol 181 unq 1 iso 1 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 9.01624 5.93724 5.71898 12.2513 numMergedOcc 0
90 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 9.55105 5.83796 5.12833 10.2172 numMergedOcc 0
91 mol 181 unq 2 iso 1 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 9.55105 5.12833 5.83796 10.2172 numMergedOcc 0
92 mol 181 unq 3 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 6.64173 6.8757 10.6474 4.88823 numMergedOcc 0
93 mol 181 unq 3 iso 1 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 6.64173 10.6474 6.8757 4.88823 numMergedOcc 0
94 mol 181 unq 4 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 9.01624 5.71898 5.93724 14.8923 numMergedOcc 0
95 mol 181 unq 4 iso 1 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 9.01624 5.93724 5.71898 14.8923 numMergedOcc 0
96 mol 181 unq 5 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 9.55105 5.83796 5.12833 14.2334 numMergedOcc 0
97 mol 181 unq 5 iso 1 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 9.55105 5.12833 5.83796 14.2334 numMergedOcc 0
98 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 5.90931 5.09262 12.9483 7.9133 10.7169 5.57347 11.2106 numMergedOcc 0
99 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 7.9133 5.57347 10.7169 11.2106 numMergedOcc 0
100 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 9.19704 8.66809 6.23291 6.52816 9.49403 13.514 13.4094 numMergedOcc 0
101 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 9.19704 6.23291 8.66809 6.52816 13.514 9.49403 13.4094 numMergedOcc 0
102 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 9.19704 8.66809 13.231 6.52816 9.49403 3.56269 13.4094 numMergedOcc 0
103 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 9.19704 13.231 8.66809 6.52816 3.56269 9.49403 13.4094 numMergedOcc 0
104 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 9.19704 6.23291 13.231 6.52816 13.514 3.56269 13.4094 numMergedOcc 0
105 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 9.19704 13.231 6.23291 6.52816 3.56269 13.514 13.4094 numMergedOcc 0
106 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 6.97182 6.16485 5.33565 7.46481 11.4955 8.459 11.357 numMergedOcc 0
107 mol 214 unq 0 iso 1 dist 7.14453 9.65138 9.10746 6.97182 5.33565 6.16485 7.46481 8.459 11.4955 11.357 numMergedOcc 0
108 mol 214 unq 1 iso 0 dist 9.65138 7.14453 9.10746 6.1175 11.5712 5.06792 7.46481 11.4955 8.459 10.9581 numMergedOcc 0
109 mol 214 unq 1 iso 1 dist 7.14453 9.65138 9.10746 6.1175 5.06792 11.5712 7.46481 8.459 11.4955 10.9581 numMergedOcc 0
110 mol 214 unq 2 iso 0 dist 9.65138 8.85478 4.40923 6.97182 6.16485 8.47007 7.46481 11.4955 11.1534 11.357 numMergedOcc 0
111 mol 214 unq 2 iso 1 dist 8.85478 9.65138 4.40923 6.97182 8.47007 6.16485 7.46481 11.1534 11.4955 11.357 numMergedOcc 0
112 mol 214 unq 3 iso 0 dist 9.65138 8.85478 4.40923 6.1175 11.5712 12.8334 7.46481 11.4955 11.1534 10.9581 numMergedOcc 0
113 mol 214 unq 3 iso 1 dist 8.85478 9.65138 4.40923 6.1175 12.8334 11.5712 7.46481 11.1534 11.4955 10.9581 numMergedOcc 0
114 mol 214 unq 2 iso 0 dist 7.14453 8.85478 11.3796 6.97182 5.33565 8.47007 7.46481 8.459 11.1534 11.357 numMergedOcc 0
115 mol 214 unq 2 iso 1 dist 8.85478 7.14453 11.3796 6.97182 8.47007 5.33565 7.46481 11.1534 8.459 11.357 numMergedOcc 0
116 mol 214 unq 3 iso 0 dist 7.14453 8.85478 11.3796 6.1175 5.06792 12.8334 7.46481 8.459 11.1534 10.9581 numMergedOcc 0
117 mol 214 unq 3 iso 1 dist 8.85478 7.14453 11.3796 6.1175 12.8334 5.06792 7.46481 11.1534 8.459 10.9581 numMergedOcc 0
118 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.79428 7.05804 5.76843 10.9705 numMergedOcc 0
119 mol 224 unq 0 iso 1 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.79428 5.76843 7.05804 10.9705 numMergedOcc 0
120 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.23634 5.0317 5.83175 4.09934 numMergedOcc 0
121 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 5.23634 5.83175 5.0317 4.09934 numMergedOcc 0
122 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 7.81215 12.4252 5.75498 11.8229 numMergedOcc 0
123 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 7.81215 5.75498 12.4252 11.8229 numMergedOcc 0
124 mol 234 unq 1 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 7.81215 12.4252 5.75498 10.5304 numMergedOcc 0
125 mol 234 unq 1 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 7.81215 5.75498 12.4252 10.5304 numMergedOcc 0
126 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 9.3206 4.27181 4.89609 13.0765 numMergedOcc 0
127 mol 236 unq 0 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 9.3206 4.89609 4.27181 13.0765 numMergedOcc 0
128 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 9.3206 4.27181 10.5774 13.0765 numMergedOcc 0
129 mol 236 unq 1 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 9.3206 10.5774 4.27181 13.0765 numMergedOcc 0
130 mol 236 unq 1 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 9.3206 4.89609 10.5774 13.0765 numMergedOcc 0
131 mol 236 unq 1 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 9.3206 10.5774 4.89609 13.0765 numMergedOcc 0
132 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 9.63573 7.20604 5.05362 9.98303 numMergedOcc 0
133 mol 259 unq 0 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 9.63573 5.05362 7.20604 9.98303 numMergedOcc 0
134 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 7.66153 8.8603 5.8801 14.0829 numMergedOcc 0
135 mol 259 unq 1 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 7.66153 5.8801 8.8603 14.0829 numMergedOcc 0
136 mol 259 unq 2 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 9.63573 7.20604 5.21606 9.98303 numMergedOcc 0
137 mol 259 unq 2 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 9.63573 5.21606 7.20604 9.98303 numMergedOcc 0
138 mol 259 unq 3 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 7.66153 8.8603 11.8896 14.0829 numMergedOcc 0
139 mol 259 unq 3 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 7.66153 11.8896 8.8603 14.0829 numMergedOcc 0
140 mol 259 unq 4 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 9.63573 7.20604 7.46841 9.98303 numMergedOcc 0
141 mol 259 unq 4 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 9.63573 7.46841 7.20604 9.98303 numMergedOcc 0
142 mol 259 unq 5 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 7.66153 8.8603 5.81576 14.0829 numMergedOcc 0
143 mol 259 unq 5 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 7.66153 5.81576 8.8603 14.0829 numMergedOcc 0
144 mol 259 unq 2 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 9.63573 5.05362 5.21606 9.98303 numMergedOcc 0
145 mol 259 unq 2 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 9.63573 5.21606 5.05362 9.98303 numMergedOcc 0
146 mol 259 unq 3 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 7.66153 5.8801 11.8896 14.0829 numMergedOcc 0
147 mol 259 unq 3 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 7.66153 11.8896 5.8801 14.0829 numMergedOcc 0
148 mol 259 unq 4 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 9.63573 5.05362 7.46841 9.98303 numMergedOcc 0
149 mol 259 unq 4 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 9.63573 7.46841 5.05362 9.98303 numMergedOcc 0
150 mol 259 unq 5 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 7.66153 5.8801 5.81576 14.0829 numMergedOcc 0
151 mol 259 unq 5 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 7.66153 5.81576 5.8801 14.0829 numMergedOcc 0
152 mol 259 unq 4 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 9.63573 5.21606 7.46841 9.98303 numMergedOcc 0
153 mol 259 unq 4 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 9.63573 7.46841 5.21606 9.98303 numMergedOcc 0
154 mol 259 unq 5 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 7.66153 11.8896 5.81576 14.0829 numMergedOcc 0
155 mol 259 unq 5 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 7.66153 5.81576 11.8896 14.0829 numMergedOcc 0
156 mol 276 unq 0 iso 0 dist 9.8993 6.87396 6.88557 8.76347 7.54851 6.4102 8.6759 9.39944 8.26321 13.5196 numMergedOcc 0
157 mol 276 unq 0 iso 1 dist 6.87396 9.8993 6.88557 8.76347 6.4102 7.54851 8.6759 8.26321 9.39944 13.5196 numMergedOcc 0
