REMARK Name = BDB011726 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.647 1.612 -0.553 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -2.145 0.549 0.424 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -3.349 0.460 0.683 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.184 -0.345 0.917 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.102 0.247 1.666 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.841 1.136 1.094 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.744 1.791 1.959 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.814 1.501 3.321 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.948 0.569 3.863 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.900 1.472 -0.296 0.00 0.00 -0.266 N ATOM 11 C LIG 1 2.095 1.676 -1.010 0.00 0.00 +0.234 C ATOM 12 O LIG 1 2.105 2.276 -2.094 0.00 0.00 -0.274 OA ATOM 13 C LIG 1 -0.008 -0.036 3.048 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.272 1.312 -1.139 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -1.649 3.658 0.903 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -1.947 3.016 -0.274 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -2.255 3.578 -1.055 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -1.252 3.085 1.914 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -1.825 5.194 0.850 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -0.457 5.798 0.534 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -2.507 7.074 2.277 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -2.415 5.635 2.126 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -1.875 5.222 2.892 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -1.703 -1.646 1.362 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -2.038 -2.564 0.183 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -3.394 -2.903 -0.149 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -3.634 -3.767 -1.250 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -4.944 -4.132 -1.607 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -6.042 -3.658 -0.896 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.840 -2.808 0.179 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -2.566 -4.264 -2.000 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.254 -3.937 -1.677 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.541 -2.438 0.543 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -0.971 -3.106 -0.587 0.00 0.00 -0.045 A ATOM 35 C LIG 1 0.479 -2.805 -0.303 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 3.401 1.003 -0.535 0.00 0.00 +0.181 C BRANCH 36 37 ATOM 37 N LIG 1 3.380 -0.445 -0.825 0.00 0.00 -0.292 NA ATOM 38 C LIG 1 4.526 -1.132 -0.217 0.00 0.00 +0.100 C ATOM 39 C LIG 1 4.497 -2.668 -0.441 0.00 0.00 +0.099 C ATOM 40 N LIG 1 3.822 -3.108 -1.676 0.00 0.00 -0.303 NA ATOM 41 C LIG 1 4.315 -4.404 -2.126 0.00 0.00 +0.105 C ATOM 42 C LIG 1 3.927 -2.083 -2.719 0.00 0.00 +0.099 C ATOM 43 C LIG 1 3.325 -0.721 -2.279 0.00 0.00 +0.100 C ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7