REMARK Name = BDB040264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.509 -0.154 -1.553 0.00 0.00 -0.036 A ATOM 2 C LIG 1 2.146 0.051 -1.230 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.098 -0.139 -2.145 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.437 -0.567 -3.434 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.767 -0.791 -3.790 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.784 -0.589 -2.861 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.260 0.088 -1.788 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -0.735 0.550 -0.554 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -0.146 0.869 0.462 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.199 0.618 -0.658 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -3.117 1.008 0.299 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.478 0.988 -0.044 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.862 0.579 -1.343 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -3.913 0.184 -2.307 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -2.573 0.213 -1.933 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -1.354 -0.143 -2.721 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -4.322 -0.257 -3.686 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -3.931 -1.533 -3.955 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -3.763 0.514 -4.659 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -5.665 -0.220 -3.900 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 -5.523 1.412 0.971 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -5.504 0.575 2.181 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -6.054 -0.770 1.951 0.00 0.00 +0.085 C ATOM 24 C LIG 1 -7.563 -0.640 2.099 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -7.774 0.619 2.929 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -6.373 1.133 3.228 0.00 0.00 +0.085 C ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 27 ATOM 27 C LIG 1 4.690 0.073 -0.455 0.00 0.00 +0.045 C ATOM 28 C LIG 1 5.981 0.783 -1.014 0.00 0.00 +0.090 C ATOM 29 C LIG 1 6.000 1.692 0.229 0.00 0.00 +0.251 C ATOM 30 F LIG 1 6.270 2.995 -0.008 0.00 0.00 -0.206 F ATOM 31 F LIG 1 6.813 1.314 1.240 0.00 0.00 -0.206 F ATOM 32 C LIG 1 4.515 1.355 0.438 0.00 0.00 +0.090 C BRANCH 27 33 ATOM 33 C LIG 1 4.847 -1.252 0.335 0.00 0.00 +0.244 C ATOM 34 F LIG 1 3.862 -1.278 1.284 0.00 0.00 -0.236 F BRANCH 33 37 ATOM 35 C LIG 1 5.626 -1.107 3.377 0.00 0.00 +0.151 C ATOM 36 N LIG 1 6.486 -1.464 2.280 0.00 0.00 -0.318 N ATOM 37 C LIG 1 6.176 -1.530 0.946 0.00 0.00 +0.168 A ATOM 38 N LIG 1 7.251 -1.931 0.291 0.00 0.00 -0.132 NA ATOM 39 N LIG 1 8.271 -2.098 1.193 0.00 0.00 -0.138 NA ATOM 40 C LIG 1 7.798 -1.812 2.383 0.00 0.00 +0.224 A ENDBRANCH 33 37 ENDBRANCH 27 33 ENDBRANCH 1 27 TORSDOF 7