REMARK Name = BDB035704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.395 -0.614 0.455 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.766 -1.049 1.103 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.933 -1.574 2.188 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.893 -0.751 0.210 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.240 -0.992 0.411 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.132 -0.609 -0.600 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.635 0.015 -1.771 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.260 0.252 -1.959 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.400 -0.147 -0.940 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.086 -0.030 -0.844 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.138 -0.289 0.657 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.807 -0.206 0.198 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.728 -0.715 0.944 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.017 -1.321 2.171 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.332 -1.426 2.635 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.386 -0.919 1.883 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.271 0.278 -0.199 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 4.873 2.996 1.273 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.083 2.220 1.240 0.00 0.00 -0.320 N ATOM 20 C LIG 1 6.299 1.017 0.610 0.00 0.00 +0.141 A ATOM 21 N LIG 1 7.539 0.643 0.861 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 8.136 1.601 1.640 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 7.249 2.539 1.864 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 5.800 -0.847 -1.110 0.00 0.00 +0.007 C ATOM 25 C LIG 1 6.683 -2.003 -0.574 0.00 0.00 +0.024 C ATOM 26 C LIG 1 7.873 -1.472 -1.393 0.00 0.00 +0.081 C ATOM 27 CL LIG 1 8.803 -2.644 -2.390 0.00 0.00 -0.122 Cl ATOM 28 C LIG 1 6.923 -0.504 -2.120 0.00 0.00 +0.024 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.732 0.920 -3.199 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.098 2.092 -2.918 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.686 1.216 -4.121 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.810 0.151 -3.842 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.621 -0.827 -0.434 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.291 0.448 -0.173 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.804 0.910 0.595 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.737 0.281 0.053 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.994 -0.308 1.469 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -9.029 0.816 1.682 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.272 1.634 0.614 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.511 -0.272 -1.129 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8