REMARK Name = BDB011034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.997 0.116 1.470 0.00 0.00 -0.033 A ATOM 2 C LIG 1 2.811 -0.566 1.168 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.694 0.137 0.691 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.739 1.517 0.517 0.00 0.00 +0.078 A ATOM 5 N LIG 1 0.647 2.242 0.031 0.00 0.00 -0.237 NA ATOM 6 C LIG 1 -0.426 1.584 -0.258 0.00 0.00 +0.209 A ATOM 7 N LIG 1 -0.616 0.228 -0.106 0.00 0.00 -0.251 N ATOM 8 C LIG 1 2.917 2.198 0.824 0.00 0.00 +0.029 A ATOM 9 C LIG 1 0.430 -0.567 0.377 0.00 0.00 +0.267 A ATOM 10 O LIG 1 0.394 -1.774 0.615 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 4.035 1.507 1.299 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.864 -0.386 -0.458 0.00 0.00 +0.145 A ATOM 13 N LIG 1 -1.870 -1.698 -0.756 0.00 0.00 -0.195 NA ATOM 14 C LIG 1 -3.027 -2.290 -1.096 0.00 0.00 +0.219 A ATOM 15 C LIG 1 -4.229 -1.617 -1.173 0.00 0.00 +0.072 A ATOM 16 C LIG 1 -4.289 -0.250 -0.862 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -3.060 0.345 -0.497 0.00 0.00 +0.051 A BRANCH 16 18 ATOM 18 C LIG 1 -5.687 0.547 -0.911 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.676 2.113 -0.945 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -6.695 2.100 -2.103 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -8.132 2.445 -1.749 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -6.365 0.611 -2.326 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -6.653 -0.026 0.214 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.474 -0.000 1.571 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.370 0.541 2.314 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -7.556 -0.629 2.106 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.353 -1.026 1.143 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.779 -0.657 -0.049 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 16 18 BRANCH 14 29 ATOM 29 O LIG 1 -3.040 -3.633 -1.391 0.00 0.00 -0.445 OA BRANCH 29 30 ATOM 30 C LIG 1 -1.780 -4.244 -1.147 0.00 0.00 +0.445 C ATOM 31 F LIG 1 -1.934 -5.566 -1.445 0.00 0.00 -0.204 F ENDBRANCH 29 30 ENDBRANCH 14 29 ENDBRANCH 7 12 BRANCH 1 32 ATOM 32 C LIG 1 5.205 -0.632 1.996 0.00 0.00 +0.119 C BRANCH 32 39 ATOM 33 C LIG 1 7.177 0.952 -1.654 0.00 0.00 +0.011 C ATOM 34 C LIG 1 7.569 -0.351 -0.957 0.00 0.00 +0.034 C ATOM 35 C LIG 1 8.851 -0.170 -0.126 0.00 0.00 +0.171 C ATOM 36 F LIG 1 8.969 1.121 0.297 0.00 0.00 -0.245 F ATOM 37 C LIG 1 8.849 -1.060 1.103 0.00 0.00 +0.052 C ATOM 38 C LIG 1 7.624 -0.775 1.981 0.00 0.00 +0.087 C ATOM 39 N LIG 1 6.428 -0.360 1.231 0.00 0.00 -0.298 NA ATOM 40 C LIG 1 6.410 -0.925 -0.116 0.00 0.00 +0.090 C ENDBRANCH 32 39 ENDBRANCH 1 32 TORSDOF 7