REMARK Name = BDB011010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.593 0.570 1.556 0.00 0.00 -0.025 A ATOM 2 C LIG 1 -2.528 0.940 0.705 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.310 0.244 0.691 0.00 0.00 +0.145 A ATOM 4 N LIG 1 -1.138 -0.826 1.488 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -2.144 -1.210 2.290 0.00 0.00 +0.219 A ATOM 6 C LIG 1 -3.343 -0.534 2.385 0.00 0.00 +0.072 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.222 0.653 -0.150 0.00 0.00 -0.251 N ATOM 8 C LIG 1 0.745 -0.285 -0.529 0.00 0.00 +0.267 A ATOM 9 O LIG 1 0.730 -1.494 -0.305 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 1.861 0.230 -1.355 0.00 0.00 +0.066 A ATOM 11 C LIG 1 1.838 1.569 -1.733 0.00 0.00 +0.078 A ATOM 12 C LIG 1 2.873 2.066 -2.529 0.00 0.00 +0.029 A ATOM 13 C LIG 1 3.919 1.235 -2.942 0.00 0.00 +0.007 A ATOM 14 C LIG 1 3.947 -0.113 -2.561 0.00 0.00 -0.033 A ATOM 15 N LIG 1 0.821 2.439 -1.331 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 2.906 -0.611 -1.763 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.110 1.958 -0.575 0.00 0.00 +0.209 A BRANCH 14 18 ATOM 18 C LIG 1 5.077 -1.021 -2.997 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 5.868 -1.529 -1.869 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 6.599 -0.452 -1.166 0.00 0.00 +0.121 C ATOM 21 C LIG 1 7.878 -0.910 -0.444 0.00 0.00 +0.180 C ATOM 22 F LIG 1 8.132 -0.073 0.598 0.00 0.00 -0.244 F ATOM 23 C LIG 1 7.732 -2.327 0.080 0.00 0.00 +0.039 C ATOM 24 C LIG 1 7.372 -3.298 -1.046 0.00 0.00 +0.018 C ATOM 25 C LIG 1 6.763 -2.611 -2.277 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 -5.017 1.332 1.600 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -5.253 2.619 0.731 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -4.773 3.459 1.938 0.00 0.00 -0.012 C ATOM 29 C LIG 1 -5.470 4.787 2.157 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -5.227 2.284 2.838 0.00 0.00 +0.022 C BRANCH 26 33 ATOM 31 C LIG 1 -5.660 -0.622 -0.877 0.00 0.00 +0.151 C ATOM 32 N LIG 1 -6.427 -0.519 0.333 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -6.196 0.292 1.411 0.00 0.00 +0.144 A ATOM 34 N LIG 1 -7.119 0.060 2.321 0.00 0.00 -0.134 NA ATOM 35 N LIG 1 -7.966 -0.905 1.832 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 -7.535 -1.246 0.640 0.00 0.00 +0.224 A ENDBRANCH 26 33 ENDBRANCH 1 26 BRANCH 5 37 ATOM 37 O LIG 1 -1.956 -2.283 3.128 0.00 0.00 -0.445 OA BRANCH 37 38 ATOM 38 C LIG 1 -1.175 -3.297 2.509 0.00 0.00 +0.445 C ATOM 39 F LIG 1 -1.957 -3.920 1.586 0.00 0.00 -0.204 F ENDBRANCH 37 38 ENDBRANCH 5 37 TORSDOF 7