REMARK Name = BDB037394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.962 -1.613 1.142 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.267 -1.140 0.627 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.891 0.211 0.605 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -2.052 0.209 -0.410 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -2.932 -1.067 -0.300 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -2.251 -2.303 -0.252 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.165 -0.991 -0.302 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.898 -2.257 0.117 0.00 0.00 +0.135 A ATOM 9 N LIG 1 0.065 -3.262 0.105 0.00 0.00 -0.218 N ATOM 10 N LIG 1 1.108 -2.928 0.918 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.261 0.563 2.042 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -2.154 -0.194 2.822 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.469 0.196 4.126 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.898 1.344 4.660 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -2.201 1.712 5.911 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.017 2.113 3.914 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.703 1.727 2.610 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 0.184 -4.411 -0.725 0.00 0.00 +0.067 A ATOM 19 C LIG 1 1.038 -5.454 -0.336 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.191 -6.575 -1.154 0.00 0.00 +0.002 A ATOM 21 C LIG 1 0.512 -6.652 -2.369 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -0.312 -5.603 -2.776 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.472 -4.479 -1.962 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -2.898 1.401 -0.318 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -3.496 1.462 0.496 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -3.176 2.169 -1.424 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -2.543 2.105 -2.471 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.300 3.132 -1.287 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.448 2.823 -0.545 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -6.498 3.752 -0.441 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -6.388 4.981 -1.111 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -5.254 5.280 -1.866 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.214 4.356 -1.959 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -7.744 3.406 0.337 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -7.482 2.661 1.447 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -8.631 2.684 -0.399 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.424 4.501 0.777 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -3.079 -3.511 -0.156 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -3.572 -3.766 1.263 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 2.040 -0.854 1.848 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 3.084 0.676 0.233 0.00 0.00 +0.241 C ATOM 42 N LIG 1 3.063 -0.531 0.880 0.00 0.00 -0.306 N ATOM 43 H LIG 1 3.619 -1.302 0.536 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 2.382 1.631 0.542 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 4.151 -0.227 -1.781 0.00 0.00 +0.019 C ATOM 46 C LIG 1 4.074 0.768 -0.878 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 4.811 2.079 -1.021 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 6.021 2.288 -0.200 0.00 0.00 -0.294 NA ATOM 49 C LIG 1 5.702 2.388 1.225 0.00 0.00 +0.105 C BRANCH 48 50 ATOM 50 C LIG 1 7.027 1.229 -0.421 0.00 0.00 +0.108 C ATOM 51 C LIG 1 8.422 1.692 0.045 0.00 0.00 +0.181 C ATOM 52 O LIG 1 8.998 1.316 -1.239 0.00 0.00 -0.377 OA ATOM 53 C LIG 1 7.663 1.334 -1.820 0.00 0.00 +0.181 C ENDBRANCH 48 50 ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 12