REMARK Name = BDB026125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.269 -0.401 0.192 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.837 -1.597 0.780 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.728 -2.537 1.132 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.512 -1.863 1.028 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.497 -0.936 0.688 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.073 0.297 0.124 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.282 0.546 -0.132 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.874 -1.165 0.864 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.601 -1.523 -0.377 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.660 -3.057 -0.611 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.412 -3.292 -1.931 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.290 -3.766 0.545 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.352 -5.215 0.313 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.537 -3.449 1.796 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.223 -4.024 3.047 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.349 -1.919 2.040 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.402 0.462 -0.520 0.00 0.00 +0.121 A ATOM 18 N LIG 1 4.599 1.391 0.039 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 3.295 1.080 0.254 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.694 -0.134 -0.068 0.00 0.00 +0.003 A ATOM 21 C LIG 1 3.534 -1.074 -0.664 0.00 0.00 +0.013 A ATOM 22 C LIG 1 4.881 -0.776 -0.893 0.00 0.00 +0.044 A BRANCH 17 28 ATOM 23 C LIG 1 9.926 -0.665 0.798 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.842 0.361 0.493 0.00 0.00 +0.132 C ATOM 25 O LIG 1 9.492 1.520 -0.060 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 8.608 2.361 -0.819 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.120 2.171 -0.485 0.00 0.00 +0.134 C ATOM 28 N LIG 1 6.735 0.777 -0.763 0.00 0.00 -0.311 N ATOM 29 C LIG 1 7.764 -0.230 -0.445 0.00 0.00 +0.137 C ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -2.089 1.251 -0.101 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.998 0.930 0.226 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.997 2.470 -0.721 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.019 2.968 -1.262 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.301 3.194 -0.759 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.960 3.509 -2.016 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -5.118 4.192 -1.995 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.732 4.633 -0.714 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -6.787 5.259 -0.743 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.037 4.285 0.443 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -5.562 4.698 1.736 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -3.840 3.589 0.406 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.324 3.028 -3.288 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -4.081 3.351 -4.375 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -3.243 1.669 -3.292 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6