REMARK Name = BDB054332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.844 0.996 0.444 0.00 0.00 -0.046 A ATOM 2 C LIG 1 0.018 1.258 -0.656 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.149 0.518 -0.856 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.516 -0.490 0.036 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.704 -0.750 1.139 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.466 -0.008 1.343 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.116 1.781 0.649 0.00 0.00 +0.050 C BRANCH 7 10 ATOM 8 N LIG 1 5.166 0.849 -0.281 0.00 0.00 -0.257 N ATOM 9 C LIG 1 3.948 0.025 -0.272 0.00 0.00 +0.202 C ATOM 10 C LIG 1 3.158 1.370 -0.381 0.00 0.00 +0.111 C ATOM 11 C LIG 1 4.532 2.042 -0.195 0.00 0.00 +0.226 C ATOM 12 O LIG 1 4.913 3.183 -0.064 0.00 0.00 -0.275 OA BRANCH 8 16 ATOM 13 C LIG 1 9.230 -0.261 -0.225 0.00 0.00 +0.120 A ATOM 14 C LIG 1 8.229 -1.227 -0.340 0.00 0.00 +0.047 A ATOM 15 C LIG 1 6.879 -0.861 -0.359 0.00 0.00 +0.027 A ATOM 16 C LIG 1 6.509 0.483 -0.259 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.515 1.448 -0.151 0.00 0.00 +0.027 A ATOM 18 C LIG 1 8.867 1.080 -0.131 0.00 0.00 +0.047 A BRANCH 13 20 ATOM 19 C LIG 1 11.559 0.193 -0.106 0.00 0.00 +0.277 C ATOM 20 O LIG 1 10.505 -0.755 -0.219 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 8 16 BRANCH 9 21 ATOM 21 C LIG 1 3.751 -0.881 0.988 0.00 0.00 +0.327 C ATOM 22 O LIG 1 3.300 -2.019 1.036 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 O LIG 1 4.155 -0.310 2.153 0.00 0.00 -0.479 OA ATOM 24 H LIG 1 4.027 -1.014 2.824 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 9 21 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 O LIG 1 -2.675 -1.139 -0.283 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.150 -2.124 0.635 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 -4.467 -2.706 0.120 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 -5.609 -1.753 0.201 0.00 0.00 +0.086 A ATOM 29 C LIG 1 -6.248 -1.228 1.305 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -6.087 -1.351 2.763 0.00 0.00 +0.088 C ATOM 31 O LIG 1 -7.246 -0.407 0.862 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 -7.172 -0.484 -0.505 0.00 0.00 +0.228 A ATOM 33 N LIG 1 -6.219 -1.286 -0.943 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 -8.137 0.305 -1.266 0.00 0.00 +0.037 A ATOM 35 C LIG 1 -8.102 0.277 -2.668 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -9.012 1.021 -3.424 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.970 1.804 -2.785 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -10.019 1.845 -1.393 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -9.108 1.100 -0.638 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 11