REMARK Name = BDB011569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.044 -0.979 -1.273 0.00 0.00 +0.245 C ATOM 2 N LIG 1 0.154 -1.656 -1.462 0.00 0.00 -0.257 N ATOM 3 C LIG 1 1.313 -1.700 -0.531 0.00 0.00 +0.172 C ATOM 4 C LIG 1 2.259 -2.811 -1.030 0.00 0.00 +0.069 C ATOM 5 C LIG 1 1.642 -3.184 -2.338 0.00 0.00 -0.024 A ATOM 6 C LIG 1 2.136 -4.095 -3.262 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.392 -4.337 -4.417 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.175 -3.675 -4.627 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.313 -2.763 -3.685 0.00 0.00 +0.024 A ATOM 10 C LIG 1 0.431 -2.523 -2.541 0.00 0.00 +0.040 A ATOM 11 O LIG 1 -2.030 -1.115 -2.013 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.089 -0.370 -0.471 0.00 0.00 +0.238 C ATOM 13 N LIG 1 2.936 -0.306 0.629 0.00 0.00 -0.284 N ATOM 14 H LIG 1 2.925 -1.089 1.272 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 1.941 0.501 -1.321 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 3.780 0.762 1.000 0.00 0.00 +0.033 A ATOM 17 C LIG 1 4.521 0.607 2.180 0.00 0.00 +0.023 A ATOM 18 C LIG 1 5.381 1.617 2.622 0.00 0.00 +0.002 A ATOM 19 C LIG 1 5.508 2.792 1.887 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.777 2.954 0.713 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.917 1.944 0.271 0.00 0.00 +0.023 A ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 22 ATOM 22 C LIG 1 -1.166 -0.018 -0.053 0.00 0.00 +0.190 C BRANCH 22 23 ATOM 23 C LIG 1 -1.204 -0.742 1.284 0.00 0.00 -0.018 A ATOM 24 C LIG 1 -1.930 -1.931 1.463 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -1.936 -2.577 2.700 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.233 -2.038 3.776 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -0.531 -0.845 3.620 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -0.520 -0.198 2.384 0.00 0.00 +0.006 A ENDBRANCH 22 23 BRANCH 22 30 ATOM 29 C LIG 1 -2.526 2.039 0.241 0.00 0.00 +0.231 C ATOM 30 N LIG 1 -2.395 0.753 -0.221 0.00 0.00 -0.299 N ATOM 31 H LIG 1 -3.062 0.367 -0.880 0.00 0.00 +0.150 HD ATOM 32 O LIG 1 -1.663 2.586 0.930 0.00 0.00 -0.274 OA BRANCH 29 33 ATOM 33 C LIG 1 -3.878 2.722 -0.091 0.00 0.00 +0.137 C ATOM 34 C LIG 1 -4.151 2.746 -1.592 0.00 0.00 +0.034 C BRANCH 33 36 ATOM 35 C LIG 1 -5.090 4.501 1.041 0.00 0.00 +0.101 C ATOM 36 N LIG 1 -3.842 4.119 0.400 0.00 0.00 -0.309 NA ATOM 37 H LIG 1 -3.077 4.185 1.083 0.00 0.00 +0.122 HD ENDBRANCH 33 36 ENDBRANCH 29 33 ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 7