0 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 9.01612 5.35073 8.63333 5.84625 5.49591 9.11258 10.2049 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 4.88613 9.80755 8.89374 10.3132 8.62958 6.46761 5.84625 5.49591 9.11258 5.85698 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 4.88613 9.80755 8.89374 16.5848 14.176 9.73139 5.84625 5.49591 9.11258 12.2123 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.99491 6.84612 8.68586 13.8335 10.6748 9.54144 6.23138 6.21578 9.32552 11.4485 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.2377 12.6436 5.64598 14.7651 7.4697 8.70133 16.651 8.44406 7.10439 5.11416 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.2377 12.6436 5.64598 12.864 5.7113 4.65521 16.651 8.44406 7.10439 6.56633 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.18305 4.31731 4.65521 11.0671 5.4148 8.70133 9.54477 6.56633 7.10439 5.11416 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.18305 4.31731 4.65521 9.43662 5.7113 5.64598 9.54477 6.56633 7.10439 8.44406 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.58841 13.8628 8.19682 17.86 10.2879 6.21982 14.8689 6.45686 7.03226 4.85247 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 9.44078 9.76996 8.39016 14.6132 7.60026 6.99355 15.4206 9.60325 9.56752 7.25602 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 5.9179 4.97513 8.39016 9.34782 7.60026 6.99355 11.4116 9.60325 9.56752 7.25602 numMergedOcc 0
11 mol 90 unq 2 iso 0 dist 9.34782 4.97513 6.99355 5.9179 7.60026 8.39016 11.4116 7.25602 9.56752 9.60325 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 11.7745 11.6667 9.63176 8.4733 5.92984 7.26955 15.5019 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.91337 6.02826 7.39889 13.3911 11.3169 7.44174 8.4733 5.92984 7.26955 10.314 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 8.32241 4.56139 7.75534 11.9998 7.12167 9.06011 8.97111 6.0268 7.36017 10.1326 numMergedOcc 0
15 mol 126 unq 1 iso 0 dist 8.32241 4.56139 7.75534 11.9998 7.12167 9.06011 9.44367 8.01268 5.14819 6.51507 numMergedOcc 0
16 mol 126 unq 2 iso 0 dist 8.32241 4.56139 7.75534 11.9998 7.12167 9.06011 11.0056 10.2072 6.84245 5.78149 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.92932 6.27009 8.79571 9.60411 5.49782 5.42582 12.1527 4.57832 8.73604 5.29786 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.92932 6.27009 8.79571 14.0674 8.80819 8.6355 12.1527 4.57832 8.73604 5.71679 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.60411 6.27009 5.42582 9.92932 5.49782 8.79571 12.1527 5.29786 8.73604 4.57832 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.60411 6.27009 5.42582 14.0674 5.00817 8.6355 12.1527 5.29786 8.73604 5.71679 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.55556 10.2625 8.79571 12.1043 5.49782 5.42582 11.9876 4.57832 8.73604 5.29786 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 9.55556 10.2625 8.79571 16.0579 8.80819 8.6355 11.9876 4.57832 8.73604 5.71679 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 6.7973 5.10076 7.16254 10.6879 5.71071 9.14392 13.2147 10.4923 9.0529 6.89781 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 6.7973 9.64056 9.86313 10.6879 5.71071 7.51198 15.842 11.0769 9.80845 5.50031 numMergedOcc 0
25 mol 155 unq 2 iso 0 dist 6.7973 9.64056 9.86313 10.6879 5.71071 7.51198 13.2147 10.4923 7.55196 6.89781 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 7.70279 6.17401 7.07392 12.1893 4.96364 9.62952 9.41148 6.2188 7.10413 6.09015 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.11256 14.9183 9.58736 12.8963 9.85037 9.43058 20.5976 15.6327 7.31773 10.632 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 9.11256 14.9183 9.58736 17.4969 13.6669 8.75735 20.5976 15.6327 7.31773 6.01041 numMergedOcc 0
29 mol 235 unq 2 iso 0 dist 9.11256 14.9183 9.58736 20.3048 16.4493 6.98084 20.5976 15.6327 7.31773 6.82855 numMergedOcc 0
30 mol 235 unq 3 iso 0 dist 9.11256 14.9183 9.58736 22.1086 15.4 7.32211 20.5976 15.6327 7.31773 6.46722 numMergedOcc 0
31 mol 235 unq 4 iso 0 dist 7.08539 4.28284 9.58736 11.3151 9.85037 9.43058 11.2839 15.6327 7.31773 10.632 numMergedOcc 0
32 mol 235 unq 5 iso 0 dist 7.08539 4.28284 9.58736 12.206 13.6669 8.75735 11.2839 15.6327 7.31773 6.01041 numMergedOcc 0
33 mol 235 unq 6 iso 0 dist 7.08539 4.28284 9.58736 10.3464 16.4493 6.98084 11.2839 15.6327 7.31773 6.82855 numMergedOcc 0
34 mol 235 unq 7 iso 0 dist 7.08539 4.28284 9.58736 9.4144 15.4 7.32211 11.2839 15.6327 7.31773 6.46722 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 9.32451 4.81145 6.05141 11.5933 5.6348 8.09066 11.9862 10.7081 8.09718 12.2874 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 9.32451 4.81145 6.05141 11.5933 5.6348 8.09066 11.4318 5.50308 6.73446 7.11984 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 9.32451 4.81145 6.05141 10.7555 8.87326 7.2766 11.9862 10.7081 8.09718 10.4017 numMergedOcc 0
38 mol 238 unq 3 iso 0 dist 9.32451 4.81145 6.05141 10.7555 8.87326 7.2766 11.4318 5.50308 6.73446 7.95232 numMergedOcc 0
39 mol 256 unq 0 iso 0 dist 7.67598 9.40096 5.24676 16.8309 9.92128 8.09363 10.2924 5.28793 7.48269 10.134 numMergedOcc 0
40 mol 256 unq 1 iso 0 dist 7.67598 9.40096 5.24676 16.8309 9.92128 8.09363 12.6443 4.99672 6.71249 5.94495 numMergedOcc 0
41 mol 256 unq 2 iso 0 dist 7.67598 9.40096 5.24676 16.8309 9.92128 8.09363 12.4604 7.7384 9.18903 11.0837 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 10.5892 12.5353 7.48005 8.90398 8.75685 8.71497 8.81835 numMergedOcc 0
