REMARK Name = BDB022466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.083 1.453 -1.645 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.795 1.116 -1.192 0.00 0.00 +0.013 A ATOM 3 C LIG 1 1.030 2.008 -0.419 0.00 0.00 -0.018 A ATOM 4 C LIG 1 1.586 3.258 -0.110 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.860 3.610 -0.561 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.603 2.714 -1.326 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.315 1.641 0.051 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.302 1.210 -0.845 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -2.571 0.869 -0.381 0.00 0.00 +0.145 A ATOM 10 F LIG 1 -3.495 0.460 -1.266 0.00 0.00 -0.204 F ATOM 11 C LIG 1 -2.905 0.942 0.976 0.00 0.00 +0.069 A ATOM 12 C LIG 1 -1.930 1.365 1.875 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -0.651 1.711 1.415 0.00 0.00 +0.010 A BRANCH 11 14 ATOM 14 N LIG 1 -4.218 0.571 1.336 0.00 0.00 -0.280 N ATOM 15 H LIG 1 -4.807 0.295 0.558 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -4.785 0.605 2.587 0.00 0.00 +0.241 C ATOM 17 O LIG 1 -4.279 1.021 3.621 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 -6.197 0.137 2.625 0.00 0.00 +0.064 C ATOM 19 C LIG 1 -6.687 -0.869 1.880 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 -8.105 -1.355 1.981 0.00 0.00 +0.112 C BRANCH 20 21 ATOM 21 N LIG 1 -8.901 -1.212 0.774 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -8.531 -2.054 -0.366 0.00 0.00 +0.121 C ATOM 23 C LIG 1 -9.097 -1.332 -1.590 0.00 0.00 +0.181 C ATOM 24 F LIG 1 -9.979 -2.115 -2.257 0.00 0.00 -0.244 F ATOM 25 C LIG 1 -9.803 -0.106 -1.039 0.00 0.00 +0.053 C ATOM 26 C LIG 1 -9.090 0.145 0.277 0.00 0.00 +0.087 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 3.966 0.913 -3.928 0.00 0.00 +0.022 C ATOM 28 C LIG 1 3.885 0.457 -2.470 0.00 0.00 +0.102 C BRANCH 28 29 ATOM 29 C LIG 1 5.280 0.192 -1.882 0.00 0.00 +0.225 C ATOM 30 N LIG 1 5.228 -0.303 -0.596 0.00 0.00 -0.268 N ATOM 31 H LIG 1 4.347 -0.382 -0.107 0.00 0.00 +0.156 HD ATOM 32 O LIG 1 6.308 0.381 -2.529 0.00 0.00 -0.275 OA BRANCH 30 33 ATOM 33 C LIG 1 6.308 -0.655 0.173 0.00 0.00 +0.147 A ATOM 34 N LIG 1 6.088 -1.089 1.419 0.00 0.00 -0.158 NA ATOM 35 N LIG 1 7.319 -1.343 1.898 0.00 0.00 -0.280 N ATOM 36 H LIG 1 7.411 -1.684 2.848 0.00 0.00 +0.189 HD ATOM 37 C LIG 1 8.307 -1.097 0.995 0.00 0.00 +0.041 A ATOM 38 C LIG 1 7.686 -0.640 -0.140 0.00 0.00 +0.068 A BRANCH 37 39 ATOM 39 C LIG 1 9.823 -1.269 1.221 0.00 0.00 +0.037 C ATOM 40 C LIG 1 10.603 -2.151 0.283 0.00 0.00 +0.010 C ATOM 41 C LIG 1 10.345 -2.601 1.691 0.00 0.00 +0.010 C ENDBRANCH 37 39 ENDBRANCH 30 33 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 9