REMARK Name = BDB036267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.026 1.629 -1.391 0.00 0.00 +0.077 A ATOM 2 N LIG 1 -2.462 0.423 -0.887 0.00 0.00 -0.230 NA ATOM 3 C LIG 1 -1.380 -0.317 -0.732 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -0.245 0.365 -1.124 0.00 0.00 -0.271 N ATOM 5 C LIG 1 1.049 -0.193 -1.061 0.00 0.00 +0.202 A ATOM 6 N LIG 1 1.195 -1.414 -0.619 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 0.069 -2.105 -0.225 0.00 0.00 +0.128 A ATOM 8 C LIG 1 -1.201 -1.648 -0.254 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.654 1.605 -1.552 0.00 0.00 +0.120 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.233 -2.508 0.227 0.00 0.00 +0.074 A ATOM 11 N LIG 1 -3.404 -2.718 -0.466 0.00 0.00 -0.266 N ATOM 12 C LIG 1 -3.804 -2.219 -1.764 0.00 0.00 +0.173 C ATOM 13 N LIG 1 -4.249 -3.567 0.163 0.00 0.00 -0.167 NA ATOM 14 C LIG 1 -3.616 -3.908 1.299 0.00 0.00 +0.166 A ATOM 15 C LIG 1 -2.348 -3.278 1.369 0.00 0.00 +0.062 A BRANCH 14 16 ATOM 16 C LIG 1 -4.202 -4.843 2.322 0.00 0.00 +0.436 C ATOM 17 F LIG 1 -5.561 -4.858 2.335 0.00 0.00 -0.164 F ATOM 18 F LIG 1 -3.793 -6.127 2.125 0.00 0.00 -0.164 F ATOM 19 F LIG 1 -3.809 -4.512 3.584 0.00 0.00 -0.164 F ENDBRANCH 14 16 ENDBRANCH 8 10 BRANCH 1 21 ATOM 20 C LIG 1 -2.684 4.025 -0.985 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -3.003 2.721 -1.709 0.00 0.00 +0.098 C BRANCH 21 22 ATOM 22 N LIG 1 -2.993 2.935 -3.160 0.00 0.00 -0.323 NA ATOM 23 H LIG 1 -3.259 2.057 -3.606 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -3.725 3.602 -3.397 0.00 0.00 +0.119 HD ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 5 25 ATOM 25 N LIG 1 2.118 0.570 -1.473 0.00 0.00 -0.310 N ATOM 26 H LIG 1 1.975 1.553 -1.667 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 3.500 0.219 -1.220 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 4.042 1.048 -0.092 0.00 0.00 +0.012 A ATOM 29 C LIG 1 3.934 0.671 1.243 0.00 0.00 +0.005 A ATOM 30 C LIG 1 3.277 -0.507 1.860 0.00 0.00 +0.080 C ATOM 31 C LIG 1 3.846 -0.394 3.273 0.00 0.00 +0.234 C ATOM 32 O LIG 1 4.224 0.981 3.517 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 4.420 1.487 2.258 0.00 0.00 +0.124 A ATOM 34 C LIG 1 5.021 2.704 2.006 0.00 0.00 +0.049 A ATOM 35 C LIG 1 5.141 3.103 0.676 0.00 0.00 +0.042 A ATOM 36 C LIG 1 4.654 2.283 -0.351 0.00 0.00 +0.129 A ATOM 37 F LIG 1 4.766 2.711 -1.617 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 TORSDOF 7