REMARK Name = BDB041087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.541 -0.521 -1.036 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.267 -0.931 -0.900 0.00 0.00 -0.208 NA ATOM 3 C LIG 1 -1.690 -1.530 -1.961 0.00 0.00 +0.174 A ATOM 4 N LIG 1 -0.348 -1.961 -1.839 0.00 0.00 -0.250 N ATOM 5 C LIG 1 0.303 -2.536 -2.913 0.00 0.00 +0.259 C ATOM 6 C LIG 1 -0.469 -2.518 -4.232 0.00 0.00 +0.325 C ATOM 7 O LIG 1 -1.879 -2.392 -4.235 0.00 0.00 -0.478 OA ATOM 8 O LIG 1 1.448 -2.986 -2.859 0.00 0.00 -0.271 OA ATOM 9 C LIG 1 -2.371 -1.758 -3.140 0.00 0.00 +0.179 A ATOM 10 C LIG 1 -3.681 -1.334 -3.166 0.00 0.00 +0.162 A ATOM 11 N LIG 1 -4.288 -0.710 -2.138 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -3.634 1.304 0.655 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -4.157 0.142 0.101 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -5.309 -0.344 0.721 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -5.874 0.301 1.776 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -5.277 1.415 2.213 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -4.170 1.957 1.706 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -5.999 -1.620 0.265 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -5.316 -2.959 0.442 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -6.503 -2.616 1.288 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 -1.958 2.956 0.765 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -2.505 1.845 0.062 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 0.337 -1.788 -0.557 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 C LIG 1 0.826 -0.344 -0.310 0.00 0.00 +0.010 C ATOM 25 C LIG 1 1.876 0.089 -1.349 0.00 0.00 +0.024 C ATOM 26 C LIG 1 2.809 1.149 -0.773 0.00 0.00 +0.108 C ATOM 27 N LIG 1 3.587 0.569 0.333 0.00 0.00 -0.301 N ATOM 28 C LIG 1 2.869 -0.360 1.219 0.00 0.00 +0.108 C ATOM 29 C LIG 1 1.356 -0.175 1.127 0.00 0.00 +0.024 C BRANCH 27 30 ATOM 30 C LIG 1 4.516 1.395 0.884 0.00 0.00 +0.198 A ATOM 31 N LIG 1 5.629 0.928 1.547 0.00 0.00 -0.321 N ATOM 32 C LIG 1 6.041 -0.447 1.690 0.00 0.00 +0.151 C ATOM 33 C LIG 1 6.357 2.007 1.970 0.00 0.00 +0.120 A ATOM 34 C LIG 1 5.683 3.120 1.500 0.00 0.00 +0.163 A ATOM 35 N LIG 1 4.550 2.708 0.812 0.00 0.00 -0.210 NA BRANCH 34 36 ATOM 36 C LIG 1 6.046 4.567 1.649 0.00 0.00 +0.436 C ATOM 37 F LIG 1 6.196 5.193 0.451 0.00 0.00 -0.164 F ATOM 38 F LIG 1 7.224 4.727 2.315 0.00 0.00 -0.164 F ATOM 39 F LIG 1 5.114 5.266 2.349 0.00 0.00 -0.164 F ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 7