0 mol 5 unq 0 iso 0 dist 6.84403 9.86592 7.74636 6.46777 7.64769 5.31713 3.82801 8.31759 7.84244 4.73885 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 6.84403 9.86592 7.74636 3.82801 8.31759 7.84244 6.46777 7.64769 5.31713 4.73885 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.12713 6.51519 5.4713 4.64633 3.77542 6.08836 13.8401 9.97314 14.1986 9.4824 numMergedOcc 0
3 mol 46 unq 0 iso 1 dist 7.12713 6.51519 5.4713 13.8401 9.97314 14.1986 4.64633 3.77542 6.08836 9.4824 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.61831 6.2597 9.57759 5.5308 7.66068 9.50354 10.5881 9.5043 12.0331 6.98219 numMergedOcc 0
5 mol 76 unq 0 iso 1 dist 5.61831 6.2597 9.57759 10.5881 9.5043 12.0331 5.5308 7.66068 9.50354 6.98219 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.61831 6.2597 9.57759 5.5308 7.66068 9.50354 9.74852 8.34132 9.2434 8.74837 numMergedOcc 0
7 mol 76 unq 1 iso 1 dist 5.61831 6.2597 9.57759 9.74852 8.34132 9.2434 5.5308 7.66068 9.50354 8.74837 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.61831 6.2597 9.57759 10.5881 9.5043 12.0331 9.74852 8.34132 9.2434 4.82479 numMergedOcc 0
9 mol 76 unq 1 iso 1 dist 5.61831 6.2597 9.57759 9.74852 8.34132 9.2434 10.5881 9.5043 12.0331 4.82479 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 9.75749 6.36916 5.35861 8.85486 7.50925 3.62753 5.2891 6.96722 3.65203 6.91034 numMergedOcc 0
11 mol 83 unq 0 iso 1 dist 9.75749 6.36916 5.35861 5.2891 6.96722 3.65203 8.85486 7.50925 3.62753 6.91034 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.61514 10.6609 4.29937 10.8634 6.67137 3.65186 15.0522 9.78707 12.2971 15.509 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 7.61514 10.6609 4.29937 15.0522 9.78707 12.2971 10.8634 6.67137 3.65186 15.509 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.61514 11.2518 3.65628 10.8634 6.67137 7.00044 15.0522 9.78707 8.64367 15.509 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 7.61514 11.2518 3.65628 15.0522 9.78707 8.64367 10.8634 6.67137 7.00044 15.509 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 7.61514 13.5746 9.77774 10.8634 6.67137 16.1804 15.0522 9.78707 3.21259 15.509 numMergedOcc 0
17 mol 85 unq 2 iso 1 dist 7.61514 13.5746 9.77774 15.0522 9.78707 3.21259 10.8634 6.67137 16.1804 15.509 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 8.21116 10.6609 5.37869 13.6965 7.07839 10.0372 10.513 9.09711 11.8779 7.6242 numMergedOcc 0
19 mol 85 unq 3 iso 1 dist 8.21116 10.6609 5.37869 10.513 9.09711 11.8779 13.6965 7.07839 10.0372 7.6242 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 8.21116 10.6609 5.37869 13.6965 7.07839 10.0372 10.8634 7.04244 3.65186 10.1082 numMergedOcc 0
21 mol 85 unq 4 iso 1 dist 8.21116 10.6609 5.37869 10.8634 7.04244 3.65186 13.6965 7.07839 10.0372 10.1082 numMergedOcc 0
22 mol 85 unq 5 iso 0 dist 8.21116 10.6609 5.37869 13.6965 7.07839 10.0372 12.6759 7.91193 11.7094 3.24037 numMergedOcc 0
23 mol 85 unq 5 iso 1 dist 8.21116 10.6609 5.37869 12.6759 7.91193 11.7094 13.6965 7.07839 10.0372 3.24037 numMergedOcc 0
24 mol 85 unq 6 iso 0 dist 8.21116 10.6609 5.37869 13.6965 7.07839 10.0372 15.0522 9.63449 12.2971 12.8332 numMergedOcc 0
25 mol 85 unq 6 iso 1 dist 8.21116 10.6609 5.37869 15.0522 9.63449 12.2971 13.6965 7.07839 10.0372 12.8332 numMergedOcc 0
26 mol 85 unq 4 iso 0 dist 8.21116 10.6609 5.37869 10.513 9.09711 11.8779 10.8634 7.04244 3.65186 10.1757 numMergedOcc 0
27 mol 85 unq 4 iso 1 dist 8.21116 10.6609 5.37869 10.8634 7.04244 3.65186 10.513 9.09711 11.8779 10.1757 numMergedOcc 0
28 mol 85 unq 5 iso 0 dist 8.21116 10.6609 5.37869 10.513 9.09711 11.8779 12.6759 7.91193 11.7094 5.44737 numMergedOcc 0
29 mol 85 unq 5 iso 1 dist 8.21116 10.6609 5.37869 12.6759 7.91193 11.7094 10.513 9.09711 11.8779 5.44737 numMergedOcc 0
30 mol 85 unq 6 iso 0 dist 8.21116 10.6609 5.37869 10.513 9.09711 11.8779 15.0522 9.63449 12.2971 17.7038 numMergedOcc 0
31 mol 85 unq 6 iso 1 dist 8.21116 10.6609 5.37869 15.0522 9.63449 12.2971 10.513 9.09711 11.8779 17.7038 numMergedOcc 0
32 mol 85 unq 5 iso 0 dist 8.21116 10.6609 5.37869 10.8634 7.04244 3.65186 12.6759 7.91193 11.7094 11.3346 numMergedOcc 0
33 mol 85 unq 5 iso 1 dist 8.21116 10.6609 5.37869 12.6759 7.91193 11.7094 10.8634 7.04244 3.65186 11.3346 numMergedOcc 0
34 mol 85 unq 6 iso 0 dist 8.21116 10.6609 5.37869 10.8634 7.04244 3.65186 15.0522 9.63449 12.2971 15.509 numMergedOcc 0
35 mol 85 unq 6 iso 1 dist 8.21116 10.6609 5.37869 15.0522 9.63449 12.2971 10.8634 7.04244 3.65186 15.509 numMergedOcc 0
36 mol 85 unq 6 iso 0 dist 8.21116 10.6609 5.37869 12.6759 7.91193 11.7094 15.0522 9.63449 12.2971 14.2704 numMergedOcc 0
37 mol 85 unq 6 iso 1 dist 8.21116 10.6609 5.37869 15.0522 9.63449 12.2971 12.6759 7.91193 11.7094 14.2704 numMergedOcc 0
38 mol 85 unq 7 iso 0 dist 8.21116 11.2518 4.05415 13.6965 7.07839 8.78995 10.513 9.09711 12.4835 7.6242 numMergedOcc 0
39 mol 85 unq 7 iso 1 dist 8.21116 11.2518 4.05415 10.513 9.09711 12.4835 13.6965 7.07839 8.78995 7.6242 numMergedOcc 0
40 mol 85 unq 8 iso 0 dist 8.21116 11.2518 4.05415 13.6965 7.07839 8.78995 10.8634 7.04244 7.00044 10.1082 numMergedOcc 0
41 mol 85 unq 8 iso 1 dist 8.21116 11.2518 4.05415 10.8634 7.04244 7.00044 13.6965 7.07839 8.78995 10.1082 numMergedOcc 0
42 mol 85 unq 9 iso 0 dist 8.21116 11.2518 4.05415 13.6965 7.07839 8.78995 12.6759 7.91193 10.7591 3.24037 numMergedOcc 0
43 mol 85 unq 9 iso 1 dist 8.21116 11.2518 4.05415 12.6759 7.91193 10.7591 13.6965 7.07839 8.78995 3.24037 numMergedOcc 0
44 mol 85 unq 10 iso 0 dist 8.21116 11.2518 4.05415 13.6965 7.07839 8.78995 15.0522 9.63449 8.64367 12.8332 numMergedOcc 0
45 mol 85 unq 10 iso 1 dist 8.21116 11.2518 4.05415 15.0522 9.63449 8.64367 13.6965 7.07839 8.78995 12.8332 numMergedOcc 0
46 mol 85 unq 8 iso 0 dist 8.21116 11.2518 4.05415 10.513 9.09711 12.4835 10.8634 7.04244 7.00044 10.1757 numMergedOcc 0
47 mol 85 unq 8 iso 1 dist 8.21116 11.2518 4.05415 10.8634 7.04244 7.00044 10.513 9.09711 12.4835 10.1757 numMergedOcc 0
48 mol 85 unq 9 iso 0 dist 8.21116 11.2518 4.05415 10.513 9.09711 12.4835 12.6759 7.91193 10.7591 5.44737 numMergedOcc 0
49 mol 85 unq 9 iso 1 dist 8.21116 11.2518 4.05415 12.6759 7.91193 10.7591 10.513 9.09711 12.4835 5.44737 numMergedOcc 0
50 mol 85 unq 10 iso 0 dist 8.21116 11.2518 4.05415 10.513 9.09711 12.4835 15.0522 9.63449 8.64367 17.7038 numMergedOcc 0
51 mol 85 unq 10 iso 1 dist 8.21116 11.2518 4.05415 15.0522 9.63449 8.64367 10.513 9.09711 12.4835 17.7038 numMergedOcc 0
52 mol 85 unq 9 iso 0 dist 8.21116 11.2518 4.05415 10.8634 7.04244 7.00044 12.6759 7.91193 10.7591 11.3346 numMergedOcc 0
53 mol 85 unq 9 iso 1 dist 8.21116 11.2518 4.05415 12.6759 7.91193 10.7591 10.8634 7.04244 7.00044 11.3346 numMergedOcc 0
54 mol 85 unq 10 iso 0 dist 8.21116 11.2518 4.05415 10.8634 7.04244 7.00044 15.0522 9.63449 8.64367 15.509 numMergedOcc 0
55 mol 85 unq 10 iso 1 dist 8.21116 11.2518 4.05415 15.0522 9.63449 8.64367 10.8634 7.04244 7.00044 15.509 numMergedOcc 0
56 mol 85 unq 10 iso 0 dist 8.21116 11.2518 4.05415 12.6759 7.91193 10.7591 15.0522 9.63449 8.64367 14.2704 numMergedOcc 0
57 mol 85 unq 10 iso 1 dist 8.21116 11.2518 4.05415 15.0522 9.63449 8.64367 12.6759 7.91193 10.7591 14.2704 numMergedOcc 0
58 mol 85 unq 11 iso 0 dist 8.21116 13.5746 9.97944 13.6965 7.07839 14.2664 10.513 9.09711 17.9023 7.6242 numMergedOcc 0
59 mol 85 unq 11 iso 1 dist 8.21116 13.5746 9.97944 10.513 9.09711 17.9023 13.6965 7.07839 14.2664 7.6242 numMergedOcc 0
60 mol 85 unq 12 iso 0 dist 8.21116 13.5746 9.97944 13.6965 7.07839 14.2664 10.8634 7.04244 16.1804 10.1082 numMergedOcc 0
61 mol 85 unq 12 iso 1 dist 8.21116 13.5746 9.97944 10.8634 7.04244 16.1804 13.6965 7.07839 14.2664 10.1082 numMergedOcc 0
62 mol 85 unq 13 iso 0 dist 8.21116 13.5746 9.97944 13.6965 7.07839 14.2664 12.6759 7.91193 15.1209 3.24037 numMergedOcc 0
63 mol 85 unq 13 iso 1 dist 8.21116 13.5746 9.97944 12.6759 7.91193 15.1209 13.6965 7.07839 14.2664 3.24037 numMergedOcc 0
64 mol 85 unq 14 iso 0 dist 8.21116 13.5746 9.97944 13.6965 7.07839 14.2664 15.0522 9.63449 3.21259 12.8332 numMergedOcc 0
65 mol 85 unq 14 iso 1 dist 8.21116 13.5746 9.97944 15.0522 9.63449 3.21259 13.6965 7.07839 14.2664 12.8332 numMergedOcc 0
66 mol 85 unq 12 iso 0 dist 8.21116 13.5746 9.97944 10.513 9.09711 17.9023 10.8634 7.04244 16.1804 10.1757 numMergedOcc 0
67 mol 85 unq 12 iso 1 dist 8.21116 13.5746 9.97944 10.8634 7.04244 16.1804 10.513 9.09711 17.9023 10.1757 numMergedOcc 0
68 mol 85 unq 13 iso 0 dist 8.21116 13.5746 9.97944 10.513 9.09711 17.9023 12.6759 7.91193 15.1209 5.44737 numMergedOcc 0
69 mol 85 unq 13 iso 1 dist 8.21116 13.5746 9.97944 12.6759 7.91193 15.1209 10.513 9.09711 17.9023 5.44737 numMergedOcc 0
70 mol 85 unq 14 iso 0 dist 8.21116 13.5746 9.97944 10.513 9.09711 17.9023 15.0522 9.63449 3.21259 17.7038 numMergedOcc 0
71 mol 85 unq 14 iso 1 dist 8.21116 13.5746 9.97944 15.0522 9.63449 3.21259 10.513 9.09711 17.9023 17.7038 numMergedOcc 0
72 mol 85 unq 13 iso 0 dist 8.21116 13.5746 9.97944 10.8634 7.04244 16.1804 12.6759 7.91193 15.1209 11.3346 numMergedOcc 0
73 mol 85 unq 13 iso 1 dist 8.21116 13.5746 9.97944 12.6759 7.91193 15.1209 10.8634 7.04244 16.1804 11.3346 numMergedOcc 0
74 mol 85 unq 14 iso 0 dist 8.21116 13.5746 9.97944 10.8634 7.04244 16.1804 15.0522 9.63449 3.21259 15.509 numMergedOcc 0
75 mol 85 unq 14 iso 1 dist 8.21116 13.5746 9.97944 15.0522 9.63449 3.21259 10.8634 7.04244 16.1804 15.509 numMergedOcc 0
76 mol 85 unq 14 iso 0 dist 8.21116 13.5746 9.97944 12.6759 7.91193 15.1209 15.0522 9.63449 3.21259 14.2704 numMergedOcc 0
77 mol 85 unq 14 iso 1 dist 8.21116 13.5746 9.97944 15.0522 9.63449 3.21259 12.6759 7.91193 15.1209 14.2704 numMergedOcc 0
78 mol 107 unq 0 iso 0 dist 4.99934 4.05182 5.31375 10.9097 8.88124 9.65216 4.34186 8.19484 8.32169 13.5807 numMergedOcc 0
79 mol 107 unq 0 iso 1 dist 4.99934 4.05182 5.31375 4.34186 8.19484 8.32169 10.9097 8.88124 9.65216 13.5807 numMergedOcc 0
80 mol 107 unq 1 iso 0 dist 4.99934 4.11617 6.49371 10.9097 8.88124 10.4294 4.34186 8.19484 3.40943 13.5807 numMergedOcc 0
81 mol 107 unq 1 iso 1 dist 4.99934 4.11617 6.49371 4.34186 8.19484 3.40943 10.9097 8.88124 10.4294 13.5807 numMergedOcc 0
82 mol 113 unq 0 iso 0 dist 6.38269 7.6316 8.67025 10.3017 5.31126 9.59189 10.3632 4.49669 10.1118 5.7147 numMergedOcc 0
83 mol 113 unq 0 iso 1 dist 6.38269 7.6316 8.67025 10.3632 4.49669 10.1118 10.3017 5.31126 9.59189 5.7147 numMergedOcc 0
84 mol 113 unq 1 iso 0 dist 6.38269 7.6316 8.67025 10.3017 5.31126 9.59189 9.86085 6.00221 8.19901 8.09465 numMergedOcc 0
85 mol 113 unq 1 iso 1 dist 6.38269 7.6316 8.67025 9.86085 6.00221 8.19901 10.3017 5.31126 9.59189 8.09465 numMergedOcc 0
86 mol 113 unq 1 iso 0 dist 6.38269 7.6316 8.67025 10.3632 4.49669 10.1118 9.86085 6.00221 8.19901 3.74304 numMergedOcc 0
87 mol 113 unq 1 iso 1 dist 6.38269 7.6316 8.67025 9.86085 6.00221 8.19901 10.3632 4.49669 10.1118 3.74304 numMergedOcc 0
88 mol 113 unq 2 iso 0 dist 7.11196 12.7927 9.60127 10.3017 7.16619 13.8379 10.3632 5.88896 8.39067 5.7147 numMergedOcc 0
89 mol 113 unq 2 iso 1 dist 7.11196 12.7927 9.60127 10.3632 5.88896 8.39067 10.3017 7.16619 13.8379 5.7147 numMergedOcc 0
90 mol 120 unq 0 iso 0 dist 7.64841 7.24685 9.98772 5.37018 9.31385 3.28697 5.79975 6.98791 4.5296 5.7181 numMergedOcc 0
91 mol 120 unq 0 iso 1 dist 7.64841 7.24685 9.98772 5.79975 6.98791 4.5296 5.37018 9.31385 3.28697 5.7181 numMergedOcc 0
92 mol 169 unq 0 iso 0 dist 6.18165 14.017 8.6961 6.5732 5.10589 9.60496 4.14139 4.63336 10.5251 5.23644 numMergedOcc 0
93 mol 169 unq 0 iso 1 dist 6.18165 14.017 8.6961 4.14139 4.63336 10.5251 6.5732 5.10589 9.60496 5.23644 numMergedOcc 0
94 mol 169 unq 1 iso 0 dist 6.18165 14.017 8.6961 6.5732 5.10589 9.60496 7.73206 6.10715 8.67112 7.52063 numMergedOcc 0
95 mol 169 unq 1 iso 1 dist 6.18165 14.017 8.6961 7.73206 6.10715 8.67112 6.5732 5.10589 9.60496 7.52063 numMergedOcc 0
96 mol 169 unq 1 iso 0 dist 6.18165 14.017 8.6961 4.14139 4.63336 10.5251 7.73206 6.10715 8.67112 3.74306 numMergedOcc 0
97 mol 169 unq 1 iso 1 dist 6.18165 14.017 8.6961 7.73206 6.10715 8.67112 4.14139 4.63336 10.5251 3.74306 numMergedOcc 0
98 mol 186 unq 0 iso 0 dist 8.19926 14.4294 8.92135 4.32488 7.25595 14.4913 12.1543 9.94825 5.43612 12.8007 numMergedOcc 0
99 mol 186 unq 0 iso 1 dist 8.19926 14.4294 8.92135 12.1543 9.94825 5.43612 4.32488 7.25595 14.4913 12.8007 numMergedOcc 0
100 mol 194 unq 0 iso 0 dist 6.6747 5.22745 5.89939 11.2635 4.68722 9.23342 10.5989 5.18325 10.3782 5.61057 numMergedOcc 0
101 mol 194 unq 0 iso 1 dist 6.6747 5.22745 5.89939 10.5989 5.18325 10.3782 11.2635 4.68722 9.23342 5.61057 numMergedOcc 0
102 mol 194 unq 1 iso 0 dist 6.6747 4.77336 8.18853 11.2635 4.68722 11.7699 10.5989 5.18325 13.0759 5.61057 numMergedOcc 0
103 mol 194 unq 1 iso 1 dist 6.6747 4.77336 8.18853 10.5989 5.18325 13.0759 11.2635 4.68722 11.7699 5.61057 numMergedOcc 0
104 mol 194 unq 2 iso 0 dist 6.28412 12.1687 5.89939 5.18799 4.68722 9.23342 4.45047 5.18325 10.3782 5.61057 numMergedOcc 0
105 mol 194 unq 2 iso 1 dist 6.28412 12.1687 5.89939 4.45047 5.18325 10.3782 5.18799 4.68722 9.23342 5.61057 numMergedOcc 0
106 mol 194 unq 3 iso 0 dist 6.28412 13.0722 8.18853 5.18799 4.68722 11.7699 4.45047 5.18325 13.0759 5.61057 numMergedOcc 0
107 mol 194 unq 3 iso 1 dist 6.28412 13.0722 8.18853 4.45047 5.18325 13.0759 5.18799 4.68722 11.7699 5.61057 numMergedOcc 0
