0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 9.23213 5.08793 10.4498 6.26831 6.34883 9.19662 4.04089 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 9.23213 10.4498 5.08793 6.26831 9.19662 6.34883 4.04089 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 9.6994 7.15528 7.19817 8.81979 5.63197 5.52201 6.26831 6.34883 9.19662 7.56754 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.15528 9.6994 7.19817 8.81979 5.52201 5.63197 6.26831 9.19662 6.34883 7.56754 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 6.92532 12.3486 5.18512 15.1136 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 6.92532 5.18512 12.3486 15.1136 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 6.92532 12.3486 5.18512 6.87842 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 6.92532 5.18512 12.3486 6.87842 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 6.92532 12.3486 5.18512 6.34272 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 6.92532 5.18512 12.3486 6.34272 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 6.92532 12.3486 9.47529 15.1136 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 6.92532 9.47529 12.3486 15.1136 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 6.92532 12.3486 9.47529 6.87842 numMergedOcc 0
13 mol 19 unq 4 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 6.92532 9.47529 12.3486 6.87842 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 6.92532 12.3486 9.47529 6.34272 numMergedOcc 0
15 mol 19 unq 5 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 6.92532 9.47529 12.3486 6.34272 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 6.92532 5.18512 9.47529 15.1136 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 6.92532 9.47529 5.18512 15.1136 numMergedOcc 0
18 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 6.92532 5.18512 9.47529 6.87842 numMergedOcc 0
19 mol 19 unq 4 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 6.92532 9.47529 5.18512 6.87842 numMergedOcc 0
20 mol 19 unq 5 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 6.92532 5.18512 9.47529 6.34272 numMergedOcc 0
21 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 6.92532 9.47529 5.18512 6.34272 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 7.685 8.43188 10.3635 5.81959 7.63409 8.4666 9.96732 numMergedOcc 0
23 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 5.81959 8.4666 7.63409 9.96732 numMergedOcc 0
24 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 9.44459 5.73693 11.6164 5.94047 numMergedOcc 0
25 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 9.44459 11.6164 5.73693 5.94047 numMergedOcc 0
26 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 7.18176 5.93337 4.5482 9.66501 4.88603 12.277 8.75928 numMergedOcc 0
27 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 7.18176 4.5482 5.93337 9.66501 12.277 4.88603 8.75928 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 7.04044 15.7304 8.26458 11.2505 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 7.04044 8.26458 15.7304 11.2505 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 7.04044 15.7304 8.35241 11.2505 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 7.04044 8.35241 15.7304 11.2505 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 7.04044 8.26458 8.35241 11.2505 numMergedOcc 0
33 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 7.04044 8.35241 8.26458 11.2505 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 7.1589 6.37974 5.08358 12.5072 numMergedOcc 0
35 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 7.1589 5.08358 6.37974 12.5072 numMergedOcc 0
36 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 6.61823 6.08245 7.24315 10.4141 numMergedOcc 0
37 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 6.61823 7.24315 6.08245 10.4141 numMergedOcc 0
38 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 6.49956 6.86728 12.163 4.36639 numMergedOcc 0
39 mol 92 unq 1 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 6.49956 12.163 6.86728 4.36639 numMergedOcc 0
40 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 9.00544 11.8512 14.9392 14.6145 numMergedOcc 0
41 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 9.00544 14.9392 11.8512 14.6145 numMergedOcc 0
42 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 7.12017 9.52882 12.6602 6.00843 numMergedOcc 0
43 mol 100 unq 1 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.12017 12.6602 9.52882 6.00843 numMergedOcc 0
44 mol 100 unq 2 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 9.00544 11.8512 9.01214 14.6145 numMergedOcc 0
45 mol 100 unq 2 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 9.00544 9.01214 11.8512 14.6145 numMergedOcc 0
46 mol 100 unq 3 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 7.12017 9.52882 14.8674 6.00843 numMergedOcc 0
47 mol 100 unq 3 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 7.12017 14.8674 9.52882 6.00843 numMergedOcc 0
48 mol 100 unq 2 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 9.00544 14.9392 9.01214 14.6145 numMergedOcc 0
49 mol 100 unq 2 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 9.00544 9.01214 14.9392 14.6145 numMergedOcc 0
50 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.12017 12.6602 14.8674 6.00843 numMergedOcc 0
51 mol 100 unq 3 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 7.12017 14.8674 12.6602 6.00843 numMergedOcc 0
52 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 5.72642 5.61704 6.4497 5.87507 numMergedOcc 0
53 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 5.72642 6.4497 5.61704 5.87507 numMergedOcc 0
54 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 5.72642 5.61704 7.3094 5.87507 numMergedOcc 0
55 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 5.72642 7.3094 5.61704 5.87507 numMergedOcc 0
56 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 5.72642 6.4497 7.3094 5.87507 numMergedOcc 0
57 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 5.72642 7.3094 6.4497 5.87507 numMergedOcc 0
58 mol 115 unq 2 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 5.74857 6.08806 7.21418 6.03931 numMergedOcc 0
59 mol 115 unq 2 iso 1 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 5.74857 7.21418 6.08806 6.03931 numMergedOcc 0
60 mol 115 unq 3 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 5.74857 6.08806 7.21418 5.99374 numMergedOcc 0
61 mol 115 unq 3 iso 1 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 5.74857 7.21418 6.08806 5.99374 numMergedOcc 0
62 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.53031 5.35679 8.46636 11.9544 numMergedOcc 0
63 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.53031 8.46636 5.35679 11.9544 numMergedOcc 0
64 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.20836 9.4027 5.12325 9.65798 numMergedOcc 0
65 mol 134 unq 1 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 8.20836 5.12325 9.4027 9.65798 numMergedOcc 0
66 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 9.17106 12.6057 8.38032 5.14959 numMergedOcc 0
67 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 9.17106 8.38032 12.6057 5.14959 numMergedOcc 0
68 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 9.17106 12.6057 8.16815 5.14959 numMergedOcc 0
69 mol 142 unq 1 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 9.17106 8.16815 12.6057 5.14959 numMergedOcc 0
70 mol 142 unq 1 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 9.17106 8.38032 8.16815 5.14959 numMergedOcc 0
71 mol 142 unq 1 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 9.17106 8.16815 8.38032 5.14959 numMergedOcc 0
72 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 7.73169 5.71107 11.2067 14.0853 numMergedOcc 0
73 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 7.73169 11.2067 5.71107 14.0853 numMergedOcc 0
74 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 5.38091 10.7023 9.00862 5.33988 numMergedOcc 0
75 mol 156 unq 1 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 5.38091 9.00862 10.7023 5.33988 numMergedOcc 0
76 mol 156 unq 2 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 7.73169 5.71107 9.44399 14.0853 numMergedOcc 0
77 mol 156 unq 2 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 7.73169 9.44399 5.71107 14.0853 numMergedOcc 0
78 mol 156 unq 3 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 5.38091 10.7023 11.1271 5.33988 numMergedOcc 0
79 mol 156 unq 3 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 5.38091 11.1271 10.7023 5.33988 numMergedOcc 0
80 mol 156 unq 2 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 7.73169 11.2067 9.44399 14.0853 numMergedOcc 0
81 mol 156 unq 2 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 7.73169 9.44399 11.2067 14.0853 numMergedOcc 0
82 mol 156 unq 3 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 5.38091 9.00862 11.1271 5.33988 numMergedOcc 0
83 mol 156 unq 3 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 5.38091 11.1271 9.00862 5.33988 numMergedOcc 0
84 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 8.96511 10.5783 5.96647 4.92088 10.1489 8.27339 7.07052 numMergedOcc 0
85 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 8.96511 5.96647 10.5783 4.92088 8.27339 10.1489 7.07052 numMergedOcc 0
86 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 8.96511 10.5783 12.075 4.92088 10.1489 9.79302 7.07052 numMergedOcc 0
87 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 8.96511 12.075 10.5783 4.92088 9.79302 10.1489 7.07052 numMergedOcc 0
88 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 8.96511 10.5783 9.92132 4.92088 10.1489 8.65097 7.07052 numMergedOcc 0
89 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 8.96511 9.92132 10.5783 4.92088 8.65097 10.1489 7.07052 numMergedOcc 0
90 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 8.96511 5.96647 12.075 4.92088 8.27339 9.79302 7.07052 numMergedOcc 0
91 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 8.96511 12.075 5.96647 4.92088 9.79302 8.27339 7.07052 numMergedOcc 0
92 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 8.96511 5.96647 9.92132 4.92088 8.27339 8.65097 7.07052 numMergedOcc 0
93 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 8.96511 9.92132 5.96647 4.92088 8.65097 8.27339 7.07052 numMergedOcc 0
94 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 8.96511 12.075 9.92132 4.92088 9.79302 8.65097 7.07052 numMergedOcc 0
95 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 8.96511 9.92132 12.075 4.92088 8.65097 9.79302 7.07052 numMergedOcc 0
96 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 6.51749 13.8722 5.93488 10.4684 numMergedOcc 0
97 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 6.51749 5.93488 13.8722 10.4684 numMergedOcc 0
98 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 6.51749 13.8722 5.93488 12.69 numMergedOcc 0
99 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 6.51749 5.93488 13.8722 12.69 numMergedOcc 0
100 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 6.51749 13.8722 7.64267 10.4684 numMergedOcc 0
101 mol 181 unq 2 iso 1 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 6.51749 7.64267 13.8722 10.4684 numMergedOcc 0
102 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 6.51749 13.8722 7.64267 12.69 numMergedOcc 0
103 mol 181 unq 3 iso 1 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 6.51749 7.64267 13.8722 12.69 numMergedOcc 0
104 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 6.51749 5.93488 7.64267 10.4684 numMergedOcc 0
105 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 6.51749 7.64267 5.93488 10.4684 numMergedOcc 0
106 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 6.51749 5.93488 7.64267 12.69 numMergedOcc 0
107 mol 181 unq 3 iso 1 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 6.51749 7.64267 5.93488 12.69 numMergedOcc 0
108 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 5.90931 5.09262 12.9483 6.85441 8.17229 5.74707 10.7974 numMergedOcc 0
109 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 6.85441 5.74707 8.17229 10.7974 numMergedOcc 0
110 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 6.97182 6.16485 5.33565 6.38157 7.38025 9.35273 9.26037 numMergedOcc 0
111 mol 214 unq 0 iso 1 dist 7.14453 9.65138 9.10746 6.97182 5.33565 6.16485 6.38157 9.35273 7.38025 9.26037 numMergedOcc 0
112 mol 214 unq 1 iso 0 dist 9.65138 7.14453 9.10746 6.1175 11.5712 5.06792 6.38157 7.38025 9.35273 11.353 numMergedOcc 0
113 mol 214 unq 1 iso 1 dist 7.14453 9.65138 9.10746 6.1175 5.06792 11.5712 6.38157 9.35273 7.38025 11.353 numMergedOcc 0
114 mol 214 unq 2 iso 0 dist 9.65138 8.85478 4.40923 6.97182 6.16485 8.47007 6.38157 7.38025 5.63388 9.26037 numMergedOcc 0
115 mol 214 unq 2 iso 1 dist 8.85478 9.65138 4.40923 6.97182 8.47007 6.16485 6.38157 5.63388 7.38025 9.26037 numMergedOcc 0
116 mol 214 unq 3 iso 0 dist 9.65138 8.85478 4.40923 6.1175 11.5712 12.8334 6.38157 7.38025 5.63388 11.353 numMergedOcc 0
117 mol 214 unq 3 iso 1 dist 8.85478 9.65138 4.40923 6.1175 12.8334 11.5712 6.38157 5.63388 7.38025 11.353 numMergedOcc 0
118 mol 214 unq 2 iso 0 dist 7.14453 8.85478 11.3796 6.97182 5.33565 8.47007 6.38157 9.35273 5.63388 9.26037 numMergedOcc 0
119 mol 214 unq 2 iso 1 dist 8.85478 7.14453 11.3796 6.97182 8.47007 5.33565 6.38157 5.63388 9.35273 9.26037 numMergedOcc 0
120 mol 214 unq 3 iso 0 dist 7.14453 8.85478 11.3796 6.1175 5.06792 12.8334 6.38157 9.35273 5.63388 11.353 numMergedOcc 0
121 mol 214 unq 3 iso 1 dist 8.85478 7.14453 11.3796 6.1175 12.8334 5.06792 6.38157 5.63388 9.35273 11.353 numMergedOcc 0
122 mol 220 unq 0 iso 0 dist 9.23153 8.24498 10.5449 6.84247 6.7067 6.05129 5.45036 6.17628 10.4136 5.49803 numMergedOcc 0
123 mol 220 unq 0 iso 1 dist 8.24498 9.23153 10.5449 6.84247 6.05129 6.7067 5.45036 10.4136 6.17628 5.49803 numMergedOcc 0
124 mol 220 unq 1 iso 0 dist 9.23153 8.24498 10.5449 6.84247 6.7067 6.05129 9.97586 14.0253 6.20511 7.44322 numMergedOcc 0
125 mol 220 unq 1 iso 1 dist 8.24498 9.23153 10.5449 6.84247 6.05129 6.7067 9.97586 6.20511 14.0253 7.44322 numMergedOcc 0
126 mol 220 unq 2 iso 0 dist 9.23153 8.24498 10.5449 6.99002 15.9568 11.1321 5.45036 6.17628 10.4136 11.2241 numMergedOcc 0
127 mol 220 unq 2 iso 1 dist 8.24498 9.23153 10.5449 6.99002 11.1321 15.9568 5.45036 10.4136 6.17628 11.2241 numMergedOcc 0
128 mol 220 unq 3 iso 0 dist 9.23153 8.24498 10.5449 6.99002 15.9568 11.1321 9.97586 14.0253 6.20511 9.68359 numMergedOcc 0
129 mol 220 unq 3 iso 1 dist 8.24498 9.23153 10.5449 6.99002 11.1321 15.9568 9.97586 6.20511 14.0253 9.68359 numMergedOcc 0
130 mol 224 unq 0 iso 0 dist 9.40098 6.61986 9.54151 8.19953 8.64911 10.7113 8.37597 6.77927 4.59567 8.5129 numMergedOcc 0
131 mol 224 unq 0 iso 1 dist 6.61986 9.40098 9.54151 8.19953 10.7113 8.64911 8.37597 4.59567 6.77927 8.5129 numMergedOcc 0
132 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 8.38865 11.0628 12.9587 5.92529 numMergedOcc 0
133 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 8.38865 12.9587 11.0628 5.92529 numMergedOcc 0
134 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 8.24186 11.7705 5.63086 13.0974 numMergedOcc 0
135 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 8.24186 5.63086 11.7705 13.0974 numMergedOcc 0
136 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 8.24186 11.7705 5.6819 13.0974 numMergedOcc 0
137 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 8.24186 5.6819 11.7705 13.0974 numMergedOcc 0
138 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 8.24186 5.63086 5.6819 13.0974 numMergedOcc 0
139 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 8.24186 5.6819 5.63086 13.0974 numMergedOcc 0
140 mol 234 unq 2 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 7.5366 5.63086 5.6819 16.5499 numMergedOcc 0
141 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 7.5366 5.6819 5.63086 16.5499 numMergedOcc 0
142 mol 234 unq 3 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 7.5366 5.63086 5.6819 13.0974 numMergedOcc 0
143 mol 234 unq 3 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 7.5366 5.6819 5.63086 13.0974 numMergedOcc 0
144 mol 234 unq 4 iso 0 dist 8.41436 8.92474 8.62358 6.16063 11.3297 10.2563 9.007 8.16888 5.3211 7.54397 numMergedOcc 0
145 mol 234 unq 4 iso 1 dist 8.92474 8.41436 8.62358 6.16063 10.2563 11.3297 9.007 5.3211 8.16888 7.54397 numMergedOcc 0
146 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 8.50331 7.22918 9.05842 11.6774 numMergedOcc 0
147 mol 236 unq 0 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 8.50331 9.05842 7.22918 11.6774 numMergedOcc 0
148 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 8.50331 7.22918 7.00028 11.6774 numMergedOcc 0
149 mol 236 unq 1 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 8.50331 7.00028 7.22918 11.6774 numMergedOcc 0
150 mol 236 unq 1 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 8.50331 9.05842 7.00028 11.6774 numMergedOcc 0
151 mol 236 unq 1 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 8.50331 7.00028 9.05842 11.6774 numMergedOcc 0
152 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 9.09992 10.841 5.63139 9.19033 10.26 13.5034 11.8912 numMergedOcc 0
153 mol 272 unq 0 iso 1 dist 8.46116 9.97651 8.12676 9.09992 5.63139 10.841 9.19033 13.5034 10.26 11.8912 numMergedOcc 0
154 mol 272 unq 1 iso 0 dist 9.97651 8.46116 8.12676 6.16449 4.72202 8.52877 9.19033 10.26 13.5034 6.56154 numMergedOcc 0
155 mol 272 unq 1 iso 1 dist 8.46116 9.97651 8.12676 6.16449 8.52877 4.72202 9.19033 13.5034 10.26 6.56154 numMergedOcc 0
