REMARK Name = BDB003219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.188 -1.423 -1.004 0.00 0.00 +0.221 A ATOM 2 N LIG 1 0.143 -1.227 -1.053 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 0.918 -2.169 -1.635 0.00 0.00 +0.165 A ATOM 4 C LIG 1 0.356 -3.305 -2.189 0.00 0.00 +0.181 A ATOM 5 F LIG 1 1.102 -4.253 -2.772 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -1.005 -3.427 -2.104 0.00 0.00 +0.156 A ATOM 7 N LIG 1 -1.792 -2.505 -1.518 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.901 -0.410 -0.368 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -1.248 0.286 -0.038 0.00 0.00 +0.155 HD BRANCH 8 14 ATOM 10 C LIG 1 -5.627 -0.772 -0.226 0.00 0.00 +0.167 A ATOM 11 C LIG 1 -5.941 0.371 0.523 0.00 0.00 +0.204 A ATOM 12 C LIG 1 -4.941 1.261 0.939 0.00 0.00 +0.167 A ATOM 13 C LIG 1 -3.609 0.967 0.629 0.00 0.00 +0.073 A ATOM 14 C LIG 1 -3.259 -0.184 -0.103 0.00 0.00 +0.041 A ATOM 15 C LIG 1 -4.285 -1.040 -0.522 0.00 0.00 +0.073 A BRANCH 10 17 ATOM 16 C LIG 1 -6.415 -2.637 -1.489 0.00 0.00 +0.277 C ATOM 17 O LIG 1 -6.686 -1.559 -0.603 0.00 0.00 -0.491 OA ENDBRANCH 10 17 BRANCH 11 18 ATOM 18 O LIG 1 -7.260 0.669 0.788 0.00 0.00 -0.488 OA ATOM 19 C LIG 1 -7.651 0.068 2.021 0.00 0.00 +0.277 C ENDBRANCH 11 18 BRANCH 12 20 ATOM 20 O LIG 1 -5.358 2.358 1.648 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -4.400 3.373 1.908 0.00 0.00 +0.277 C ENDBRANCH 12 20 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 N LIG 1 2.314 -1.997 -1.738 0.00 0.00 -0.282 N ATOM 23 H LIG 1 2.823 -2.864 -1.600 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 3.113 -0.941 -1.298 0.00 0.00 +0.126 A ATOM 25 N LIG 1 4.356 -1.287 -0.894 0.00 0.00 -0.213 NA ATOM 26 C LIG 1 5.174 -0.301 -0.473 0.00 0.00 +0.169 A ATOM 27 N LIG 1 6.452 -0.678 -0.094 0.00 0.00 -0.264 N ATOM 28 H LIG 1 6.728 -1.636 -0.247 0.00 0.00 +0.156 HD ATOM 29 C LIG 1 7.376 0.225 0.345 0.00 0.00 +0.262 C ATOM 30 C LIG 1 6.816 1.632 0.670 0.00 0.00 +0.180 C ATOM 31 O LIG 1 5.656 2.053 -0.059 0.00 0.00 -0.474 OA ATOM 32 C LIG 1 7.902 2.675 0.386 0.00 0.00 +0.065 C ATOM 33 C LIG 1 6.461 1.665 2.165 0.00 0.00 +0.065 C ATOM 34 O LIG 1 8.542 -0.109 0.541 0.00 0.00 -0.271 OA ATOM 35 C LIG 1 4.825 1.043 -0.449 0.00 0.00 +0.162 A ATOM 36 C LIG 1 3.561 1.391 -0.895 0.00 0.00 +0.052 A ATOM 37 C LIG 1 2.695 0.387 -1.325 0.00 0.00 +0.047 A ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 7