0 mol 9 unq 0 iso 0 dist 8.01055 4.75533 7.48843 11.69 6.8848 8.59513 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.01055 5.85081 4.07023 11.69 6.8848 6.59312 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.29504 7.83083 15.0188 12.9719 9.39017 15.6703 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 9.29504 6.90469 12.4341 12.9719 9.39017 12.3901 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 7.44828 6.53195 11.1555 13.6327 9.8482 16.6367 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.40644 7.99434 3.85292 11.0398 7.66163 7.11491 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 5.35252 7.99434 6.44604 11.0398 9.48288 7.11491 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 9.53081 5.43913 13.4515 10.7098 8.82709 14.4644 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 9.53081 8.26877 17.6258 10.7098 8.82709 17.9225 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 5.06188 8.10222 6.4561 11.0408 9.16212 7.1829 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 8.64686 6.65972 4.13187 8.69896 5.33546 6.86517 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 8.64686 4.2253 9.13196 8.69896 5.33546 9.21098 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 7.2118 7.69755 4.48523 10.4465 5.68212 8.99451 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 8.91354 8.91998 10.8497 12.671 7.12701 13.4457 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 6.53824 9.12145 4.82514 10.4136 8.3971 13.1247 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 6.53824 8.11048 5.7646 10.4136 8.3971 10.695 numMergedOcc 0
16 mol 116 unq 2 iso 0 dist 6.61973 9.12145 8.63935 10.4136 6.74026 13.1247 numMergedOcc 0
17 mol 116 unq 3 iso 0 dist 6.61973 8.11048 4.10222 10.4136 6.74026 10.695 numMergedOcc 0
18 mol 124 unq 0 iso 0 dist 7.18976 8.50362 5.3096 10.1583 9.5436 8.65859 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 7.6453 4.4077 6.61102 8.73165 9.7113 12.0376 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 7.6453 8.4874 9.0678 8.73165 9.7113 14.1272 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.40826 5.33772 3.66518 5.56677 9.58037 10.3754 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 9.38856 9.27714 3.91702 7.46548 6.69487 4.6512 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 6.72718 9.12589 9.57585 14.2953 8.91143 17.1021 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 5.61326 9.16422 8.51428 8.18632 9.854 10.2677 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.52029 9.41594 9.47121 16.9386 7.59757 14.309 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 9.52029 9.92651 11.8097 16.9386 7.59757 17.4033 numMergedOcc 0
27 mol 210 unq 0 iso 0 dist 8.05949 7.95917 4.68656 7.26107 9.24401 11.4954 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 5.86911 9.46274 14.085 5.74127 5.82124 14.2367 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 7.89258 9.46274 12.4498 5.74127 8.31236 14.2367 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.86185 7.24545 13.8399 5.86546 8.87182 10.0413 numMergedOcc 0
31 mol 239 unq 1 iso 0 dist 8.86185 7.24545 13.8399 8.35939 5.95622 14.2572 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 8.00386 6.62413 5.33399 11.2425 9.58168 8.76518 numMergedOcc 0
33 mol 257 unq 0 iso 0 dist 8.09912 8.23073 3.67174 6.30229 9.56051 11.4108 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 8.57274 9.48672 13.3588 12.3617 7.87648 18.7262 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 9.0836 6.48382 7.63149 8.25534 9.34312 11.7606 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 5.78262 8.13393 8.94124 7.10817 9.16554 11.6839 numMergedOcc 0
37 mol 273 unq 1 iso 0 dist 5.78262 8.13393 8.94124 4.30863 8.83491 11.9356 numMergedOcc 0
38 mol 273 unq 2 iso 0 dist 7.6489 8.13393 7.92723 4.30863 9.02711 11.9356 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 8.15119 4.1545 9.21484 12.7485 9.35976 10.2401 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.15119 4.25172 10.3506 12.7485 9.35976 12.7666 numMergedOcc 0
