REMARK Name = BDB004908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.326 0.432 -1.479 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.002 0.493 0.010 0.00 0.00 -0.025 A ATOM 3 C LIG 1 1.324 0.293 0.436 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.678 0.365 1.792 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.688 0.644 2.732 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.634 0.844 2.327 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.977 0.770 0.978 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.035 0.144 2.112 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.636 -0.064 1.322 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 3.626 0.173 3.362 0.00 0.00 +0.251 C ATOM 11 O LIG 1 3.056 0.413 4.421 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.093 -0.114 3.416 0.00 0.00 +0.075 A ATOM 13 C LIG 1 5.864 -0.392 2.283 0.00 0.00 +0.136 A ATOM 14 F LIG 1 5.313 -0.416 1.060 0.00 0.00 -0.205 F ATOM 15 C LIG 1 7.232 -0.656 2.383 0.00 0.00 +0.042 A ATOM 16 C LIG 1 7.848 -0.642 3.632 0.00 0.00 +0.041 A ATOM 17 C LIG 1 7.089 -0.365 4.763 0.00 0.00 +0.124 A ATOM 18 F LIG 1 7.681 -0.353 5.964 0.00 0.00 -0.205 F ATOM 19 C LIG 1 5.726 -0.103 4.669 0.00 0.00 +0.054 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -1.711 0.008 -1.742 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -2.002 0.273 -2.680 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.998 -1.369 -1.590 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.328 -1.813 -1.747 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -3.555 -3.195 -1.602 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -4.878 -3.659 -1.769 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.934 -2.774 -2.060 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.702 -1.414 -2.183 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -2.530 -4.027 -1.311 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -1.312 -3.494 -1.163 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.409 -0.937 -2.026 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -0.996 -2.209 -1.299 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -5.262 -5.102 -1.652 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -6.412 -5.479 -1.853 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -4.300 -6.006 -1.312 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -4.546 -6.982 -1.242 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -3.339 -5.712 -1.162 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -0.059 1.792 -2.168 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -0.908 2.958 -1.638 0.00 0.00 +0.086 C BRANCH 38 40 ATOM 39 C LIG 1 -1.797 5.154 -2.070 0.00 0.00 +0.104 C ATOM 40 N LIG 1 -0.785 4.171 -2.475 0.00 0.00 -0.308 NA ATOM 41 C LIG 1 0.546 4.775 -2.372 0.00 0.00 +0.104 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9