REMARK Name = BDB035510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.343 0.012 0.873 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.771 -0.109 1.710 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.862 -0.390 2.891 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.956 0.182 0.893 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.286 0.184 1.272 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.244 0.497 0.300 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.828 0.788 -1.023 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.469 0.781 -1.392 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.541 0.471 -0.402 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.051 0.380 -0.482 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.107 -0.196 0.596 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.732 -0.019 0.296 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.702 -0.188 1.239 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.071 -0.554 2.534 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.412 -0.743 2.873 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.411 -0.565 1.918 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.222 0.034 -0.534 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -6.665 -0.551 -0.335 0.00 0.00 +0.035 C ATOM 19 C LIG 1 -6.666 -0.951 -1.826 0.00 0.00 +0.068 C ATOM 20 C LIG 1 -5.126 -0.937 -1.770 0.00 0.00 +0.035 C BRANCH 17 23 ATOM 21 C LIG 1 -5.710 2.674 1.279 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.471 2.653 -0.137 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.261 1.569 -0.947 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.077 1.992 -2.180 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -5.169 3.363 -2.179 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -5.402 3.745 -0.947 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 S LIG 1 -7.518 -2.522 -2.417 0.00 0.00 -0.043 S ATOM 28 O LIG 1 -6.636 -3.110 -3.691 0.00 0.00 -0.162 OA ATOM 29 C LIG 1 -7.155 -3.567 -0.993 0.00 0.00 +0.107 C ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.029 1.090 -2.798 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.182 2.155 -2.846 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.353 0.052 -3.363 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.052 1.383 -3.645 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.721 0.501 0.646 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.375 -0.652 0.035 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.865 -1.492 0.312 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.835 -0.791 0.194 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.607 0.511 -0.110 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.751 0.759 1.405 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.283 -0.688 1.668 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.331 -2.019 -0.554 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8