REMARK Name = BDB028085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.475 -0.406 1.140 0.00 0.00 +0.059 A ATOM 2 N LIG 1 3.076 -1.222 0.114 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 1.777 -1.254 -0.285 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.861 -0.466 0.372 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.601 -0.310 0.159 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.989 0.665 1.174 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.116 1.071 1.930 0.00 0.00 +0.252 C ATOM 8 O LIG 1 0.215 1.855 2.855 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.279 0.345 1.412 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.588 0.407 1.829 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.329 1.118 1.318 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.352 0.607 0.495 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.714 1.007 0.574 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.996 1.988 1.542 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.005 2.512 2.374 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.685 2.076 2.264 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.849 0.345 -0.439 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -5.694 -1.188 -0.685 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -4.956 -0.943 -1.911 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.474 0.418 -1.954 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -7.265 0.809 -0.056 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -8.398 0.243 -0.843 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -9.283 -0.709 -0.402 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -9.311 -1.363 0.878 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -10.156 -0.918 -1.424 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -9.845 -0.138 -2.431 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -8.747 0.600 -2.062 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.385 -2.164 -1.421 0.00 0.00 +0.038 C ATOM 29 C LIG 1 0.962 -1.580 -2.750 0.00 0.00 +0.010 C ATOM 30 C LIG 1 2.281 -2.282 -2.634 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 32 ATOM 31 C LIG 1 5.302 -1.803 2.046 0.00 0.00 +0.031 C ATOM 32 C LIG 1 4.965 -0.398 1.515 0.00 0.00 +0.102 C BRANCH 32 33 ATOM 33 N LIG 1 5.859 0.012 0.398 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 7.289 -0.094 0.735 0.00 0.00 +0.094 C ATOM 35 C LIG 1 8.198 0.881 -0.027 0.00 0.00 +0.069 C ATOM 36 C LIG 1 9.655 0.422 0.024 0.00 0.00 +0.015 C ATOM 37 C LIG 1 7.699 1.031 -1.453 0.00 0.00 +0.254 C ATOM 38 F LIG 1 8.472 1.938 -2.112 0.00 0.00 -0.205 F ATOM 39 F LIG 1 7.853 -0.142 -2.122 0.00 0.00 -0.205 F ATOM 40 C LIG 1 6.250 1.479 -1.530 0.00 0.00 +0.091 C ATOM 41 C LIG 1 5.515 1.299 -0.201 0.00 0.00 +0.091 C ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 7