REMARK Name = BDB025807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.576 -0.845 -0.333 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.960 0.413 -0.127 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.431 0.544 -0.184 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.253 -0.565 -0.465 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.616 -1.800 -0.674 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.343 -2.893 -0.953 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.770 -1.947 -0.611 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.198 -3.204 1.213 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.963 -1.685 1.173 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.703 -0.988 0.102 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.152 -1.102 0.188 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.200 -1.318 -1.247 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.676 -1.603 -1.330 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.981 -0.921 -0.227 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.428 -1.366 1.121 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.715 -0.426 -0.535 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.602 -1.349 -0.018 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.950 -1.240 -0.068 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.471 -0.156 -0.665 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.697 0.797 -1.206 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.355 0.645 -1.127 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.859 -0.035 -0.758 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.322 1.353 -0.915 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.848 1.381 -1.093 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.520 0.706 -0.017 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.104 -0.668 0.032 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.591 -0.794 0.266 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.856 1.476 0.110 0.00 0.00 -0.279 N ATOM 29 H LIG 1 -2.821 1.160 0.073 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.592 2.813 0.327 0.00 0.00 +0.268 C ATOM 31 O LIG 1 -0.462 3.295 0.355 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.810 3.640 0.528 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -2.724 4.970 0.737 0.00 0.00 -0.169 NA ATOM 34 N LIG 1 -3.988 5.385 0.875 0.00 0.00 -0.284 N ATOM 35 H LIG 1 -4.151 6.373 1.041 0.00 0.00 +0.188 HD ATOM 36 C LIG 1 -4.904 4.386 0.767 0.00 0.00 +0.105 A ATOM 37 C LIG 1 -4.181 3.239 0.543 0.00 0.00 +0.054 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5