0 mol 15 unq 0 iso 0 dist 9.63035 7.57076 10.4921 4.98085 8.37378 9.70019 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 8.59045 9.00893 3.8443 4.67638 7.8304 10.0182 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 8.59045 9.00893 3.8443 10.6511 5.74567 9.02577 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 7.03345 8.69224 13.502 4.95472 5.99176 11.386 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 5.2296 8.69224 13.3758 4.95472 6.98583 11.386 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 9.48095 6.14086 12.3025 4.98291 6.85254 10.3582 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 9.48095 6.31487 14.5006 4.98291 6.85254 10.7729 numMergedOcc 0
7 mol 28 unq 2 iso 0 dist 9.48095 7.07851 14.231 4.98291 6.85254 10.4329 numMergedOcc 0
8 mol 28 unq 3 iso 0 dist 7.61643 5.98169 5.34746 4.16414 6.85254 5.19518 numMergedOcc 0
9 mol 28 unq 4 iso 0 dist 8.85208 6.76158 12.3025 6.11384 6.85254 10.3582 numMergedOcc 0
10 mol 28 unq 5 iso 0 dist 8.85208 7.423 14.5006 6.11384 6.85254 10.7729 numMergedOcc 0
11 mol 28 unq 6 iso 0 dist 8.85208 5.89257 14.231 6.11384 6.85254 10.4329 numMergedOcc 0
12 mol 46 unq 0 iso 0 dist 6.64844 8.13664 6.81182 5.73092 6.02472 5.53419 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 9.05293 9.94133 8.46282 9.84867 5.72627 13.4533 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 9.05293 9.94133 8.46282 15.416 7.68741 15.8259 numMergedOcc 0
15 mol 79 unq 2 iso 0 dist 9.05293 9.94133 8.46282 14.6346 9.86085 18.0436 numMergedOcc 0
16 mol 79 unq 3 iso 0 dist 9.05293 9.94133 8.46282 16.348 9.76351 16.4227 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 7.45361 9.57352 9.76867 4.90318 8.20319 13.3891 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 7.40481 5.61418 8.734 10.8137 8.60103 7.54574 numMergedOcc 0
19 mol 103 unq 0 iso 0 dist 8.91952 7.91691 12.8265 10.171 9.50699 14.3457 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 5.92115 5.5917 4.39633 6.48813 6.52844 8.98175 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 5.92115 5.24806 4.13875 6.48813 6.52844 9.41849 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 6.35449 6.91039 3.66518 4.40915 9.58037 10.3754 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.39237 8.94445 13.4386 8.69113 8.91143 14.4236 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 7.30848 5.3865 5.33399 5.56847 9.58168 8.76518 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 4.98594 7.51951 3.90822 4.82331 7.53905 7.63543 numMergedOcc 0
