REMARK Name = BDB011565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.578 -1.507 -0.586 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.251 -1.767 -0.887 0.00 0.00 -0.257 N ATOM 3 C LIG 1 0.939 -1.260 -0.155 0.00 0.00 +0.171 C ATOM 4 C LIG 1 2.156 -2.026 -0.709 0.00 0.00 +0.069 C ATOM 5 C LIG 1 1.596 -2.627 -1.959 0.00 0.00 -0.024 A ATOM 6 C LIG 1 2.293 -3.304 -2.948 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.572 -3.842 -4.015 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.178 -3.704 -4.070 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.514 -3.025 -3.062 0.00 0.00 +0.024 A ATOM 10 C LIG 1 0.207 -2.483 -2.012 0.00 0.00 +0.040 A ATOM 11 O LIG 1 -2.531 -1.812 -1.312 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 1.132 0.255 -0.387 0.00 0.00 +0.235 C ATOM 13 N LIG 1 2.120 0.821 0.395 0.00 0.00 -0.310 N ATOM 14 H LIG 1 2.725 0.237 0.955 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 0.452 0.909 -1.172 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C LIG 1 2.519 2.202 0.224 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 3.822 2.271 -0.537 0.00 0.00 -0.025 A ATOM 18 C LIG 1 5.080 2.342 0.103 0.00 0.00 -0.046 A ATOM 19 C LIG 1 5.208 2.402 1.601 0.00 0.00 +0.044 C ATOM 20 C LIG 1 6.250 2.380 -0.678 0.00 0.00 +0.006 A ATOM 21 C LIG 1 6.181 2.330 -2.070 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.944 2.244 -2.690 0.00 0.00 +0.124 A ATOM 23 F LIG 1 4.878 2.188 -4.026 0.00 0.00 -0.205 F ATOM 24 C LIG 1 3.773 2.212 -1.942 0.00 0.00 +0.043 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 25 ATOM 25 C LIG 1 -1.877 -0.866 0.794 0.00 0.00 +0.162 C BRANCH 25 27 ATOM 26 C LIG 1 -3.391 1.049 1.267 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -3.161 -0.178 0.691 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -3.777 -0.510 -0.047 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -2.581 1.601 2.011 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -4.752 1.675 0.893 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -4.628 2.351 -0.469 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -5.632 2.055 3.126 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -5.162 2.683 1.896 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -4.330 3.239 2.118 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 -1.866 -1.943 1.908 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -3.045 -2.919 1.818 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.826 -1.310 3.302 0.00 0.00 +0.009 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 8