0 mol 7 unq 0 iso 0 dist 6.02702 11.8172 8.72114 15.9584 9.97624 10.515 10.2465 5.5683 9.67164 8.81608 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.72114 11.8172 6.02702 10.515 9.97624 15.9584 9.67164 5.5683 10.2465 8.81608 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 6.67334 6.50647 6.29685 8.85174 5.20798 9.84471 9.51568 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 6.29685 6.50647 6.67334 9.84471 5.20798 8.85174 9.51568 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 7.56205 8.62608 4.74544 11.7069 6.04903 5.49555 9.69044 4.09232 6.9103 9.1062 numMergedOcc 0
5 mol 62 unq 0 iso 1 dist 4.74544 8.62608 7.56205 5.49555 6.04903 11.7069 6.9103 4.09232 9.69044 9.1062 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 6.7117 8.40073 4.47349 8.70415 6.0129 10.0962 9.81956 3.92737 7.54889 4.44979 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 4.47349 8.40073 6.7117 10.0962 6.0129 8.70415 7.54889 3.92737 9.81956 4.44979 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 6.7117 8.40073 4.47349 8.70415 6.0129 10.0962 5.10496 3.94967 5.2571 6.61111 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 4.47349 8.40073 6.7117 10.0962 6.0129 8.70415 5.2571 3.94967 5.10496 6.61111 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 6.7117 10.2427 5.65185 8.70415 6.0129 11.2452 9.81956 3.92737 7.78931 4.44979 numMergedOcc 0
11 mol 98 unq 2 iso 1 dist 5.65185 10.2427 6.7117 11.2452 6.0129 8.70415 7.78931 3.92737 9.81956 4.44979 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 6.7117 10.2427 5.65185 8.70415 6.0129 11.2452 5.10496 3.94967 8.7497 6.61111 numMergedOcc 0
13 mol 98 unq 3 iso 1 dist 5.65185 10.2427 6.7117 11.2452 6.0129 8.70415 8.7497 3.94967 5.10496 6.61111 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 4.47349 5.02887 5.65185 10.0962 6.0129 11.2452 7.54889 3.92737 7.78931 4.44979 numMergedOcc 0
15 mol 98 unq 2 iso 1 dist 5.65185 5.02887 4.47349 11.2452 6.0129 10.0962 7.78931 3.92737 7.54889 4.44979 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 4.47349 5.02887 5.65185 10.0962 6.0129 11.2452 5.2571 3.94967 8.7497 6.61111 numMergedOcc 0
17 mol 98 unq 3 iso 1 dist 5.65185 5.02887 4.47349 11.2452 6.0129 10.0962 8.7497 3.94967 5.2571 6.61111 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 6.69989 8.55616 5.3585 12.4385 11.5269 11.0808 6.44575 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 5.3585 8.55616 6.69989 11.0808 11.5269 12.4385 6.44575 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 7.69991 5.00526 6.23142 6.69989 8.55616 5.3585 11.2896 6.93712 9.33094 7.43401 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 6.23142 5.00526 7.69991 5.3585 8.55616 6.69989 9.33094 6.93712 11.2896 7.43401 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 7.69991 11.3271 9.94764 6.69989 8.55616 6.74887 12.4385 11.5269 9.1998 6.44575 numMergedOcc 0
23 mol 134 unq 2 iso 1 dist 9.94764 11.3271 7.69991 6.74887 8.55616 6.69989 9.1998 11.5269 12.4385 6.44575 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 7.69991 11.3271 9.94764 6.69989 8.55616 6.74887 11.2896 6.93712 8.69531 7.43401 numMergedOcc 0
25 mol 134 unq 3 iso 1 dist 9.94764 11.3271 7.69991 6.74887 8.55616 6.69989 8.69531 6.93712 11.2896 7.43401 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 6.23142 6.81259 9.94764 5.3585 8.55616 6.74887 11.0808 11.5269 9.1998 6.44575 numMergedOcc 0
27 mol 134 unq 2 iso 1 dist 9.94764 6.81259 6.23142 6.74887 8.55616 5.3585 9.1998 11.5269 11.0808 6.44575 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 6.23142 6.81259 9.94764 5.3585 8.55616 6.74887 9.33094 6.93712 8.69531 7.43401 numMergedOcc 0
29 mol 134 unq 3 iso 1 dist 9.94764 6.81259 6.23142 6.74887 8.55616 5.3585 8.69531 6.93712 9.33094 7.43401 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 7.57812 10.0191 9.24557 13.171 8.09718 11.9142 18.042 15.3328 19.192 8.69525 numMergedOcc 0
31 mol 238 unq 0 iso 1 dist 9.24557 10.0191 7.57812 11.9142 8.09718 13.171 19.192 15.3328 18.042 8.69525 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 7.49645 5.37618 9.9222 5.70464 7.12785 10.3961 12.3379 10.1372 17.256 9.33476 numMergedOcc 0
33 mol 243 unq 0 iso 1 dist 9.9222 5.37618 7.49645 10.3961 7.12785 5.70464 17.256 10.1372 12.3379 9.33476 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 7.98231 6.96053 7.08526 11.6195 8.71497 5.79468 14.2242 7.57379 11.7465 8.84648 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 7.08526 6.96053 7.98231 5.79468 8.71497 11.6195 11.7465 7.57379 14.2242 8.84648 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 7.98231 6.96053 7.08526 11.6195 8.71497 5.79468 10.3406 4.47425 5.85442 6.23661 numMergedOcc 0
37 mol 259 unq 1 iso 1 dist 7.08526 6.96053 7.98231 5.79468 8.71497 11.6195 5.85442 4.47425 10.3406 6.23661 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 8.91712 10.9208 9.65934 4.62998 5.59555 7.23534 13.0848 5.97664 7.45616 8.59762 numMergedOcc 0
39 mol 287 unq 0 iso 1 dist 9.65934 10.9208 8.91712 7.23534 5.59555 4.62998 7.45616 5.97664 13.0848 8.59762 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 8.91712 10.9208 9.65934 4.62998 5.59555 7.23534 13.0848 5.97664 7.45616 8.59762 numMergedOcc 0
41 mol 288 unq 0 iso 1 dist 9.65934 10.9208 8.91712 7.23534 5.59555 4.62998 7.45616 5.97664 13.0848 8.59762 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 8.91712 10.9208 9.65934 4.62998 5.59555 7.23534 13.0848 5.97664 7.45616 8.59762 numMergedOcc 0
43 mol 289 unq 0 iso 1 dist 9.65934 10.9208 8.91712 7.23534 5.59555 4.62998 7.45616 5.97664 13.0848 8.59762 numMergedOcc 0
