REMARK Name = BDB034576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.078 0.928 -0.541 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.017 -0.087 -0.499 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.112 1.551 -0.868 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.308 2.752 -1.004 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.697 1.110 0.354 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.390 0.656 0.037 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.322 1.519 -0.260 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.546 2.889 -0.256 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.813 3.383 0.040 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.864 2.510 0.338 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 4.912 0.029 0.696 0.00 0.00 +0.080 C ATOM 12 C LIG 1 5.167 -1.019 -0.421 0.00 0.00 +0.177 C ATOM 13 O LIG 1 4.366 -2.007 0.278 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 4.460 -1.229 1.503 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 6.178 0.736 1.198 0.00 0.00 +0.248 C ATOM 16 F LIG 1 6.631 1.531 0.179 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 8.950 0.198 -0.190 0.00 0.00 +0.151 C ATOM 18 N LIG 1 8.501 -0.323 1.074 0.00 0.00 -0.318 N ATOM 19 C LIG 1 7.298 -0.113 1.703 0.00 0.00 +0.168 A ATOM 20 N LIG 1 7.328 -0.736 2.867 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 8.533 -1.383 2.982 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 9.230 -1.119 1.903 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -2.241 0.583 -1.068 0.00 0.00 +0.129 A ATOM 24 N LIG 1 -1.924 -0.728 -0.924 0.00 0.00 -0.227 NA ATOM 25 C LIG 1 -2.926 -1.607 -1.088 0.00 0.00 +0.133 A ATOM 26 N LIG 1 -4.187 -1.238 -1.395 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -4.460 0.080 -1.535 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -3.496 1.048 -1.376 0.00 0.00 +0.057 A BRANCH 25 29 ATOM 29 C LIG 1 -2.628 -3.078 -0.937 0.00 0.00 +0.057 C ATOM 30 C LIG 1 -1.854 -3.584 0.260 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -3.319 -3.882 0.141 0.00 0.00 +0.012 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -5.890 0.465 -1.867 0.00 0.00 +0.140 C BRANCH 32 33 ATOM 33 N LIG 1 -6.518 1.268 -0.807 0.00 0.00 -0.291 NA ATOM 34 C LIG 1 -6.915 0.415 0.342 0.00 0.00 +0.126 C ATOM 35 C LIG 1 -8.286 1.140 0.359 0.00 0.00 +0.134 C ATOM 36 F LIG 1 -8.383 2.194 1.211 0.00 0.00 -0.240 F ATOM 37 C LIG 1 -9.495 0.245 0.553 0.00 0.00 +0.050 C ATOM 38 C LIG 1 -7.950 1.500 -1.112 0.00 0.00 +0.126 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 3 23 TORSDOF 8