REMARK Name = BDB024415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.598 0.500 0.326 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.512 1.877 0.980 0.00 0.00 -0.019 A ATOM 3 C LIG 1 -2.328 2.942 0.565 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.231 4.182 1.189 0.00 0.00 +0.124 A ATOM 5 F LIG 1 -3.011 5.190 0.777 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.337 4.394 2.232 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -0.529 3.345 2.663 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.619 2.095 2.044 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 C LIG 1 -1.464 0.614 -1.218 0.00 0.00 +0.240 C ATOM 10 N LIG 1 -0.264 0.578 -1.863 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.370 0.702 -2.860 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -2.464 0.766 -1.937 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 1.032 0.449 -1.370 0.00 0.00 +0.125 A ATOM 14 N LIG 1 1.265 0.273 -0.066 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.561 0.161 0.338 0.00 0.00 +0.136 A ATOM 16 C LIG 1 3.685 0.182 -0.492 0.00 0.00 +0.049 A ATOM 17 C LIG 1 3.390 0.382 -1.844 0.00 0.00 +0.028 A ATOM 18 C LIG 1 2.070 0.509 -2.289 0.00 0.00 +0.045 A BRANCH 16 19 ATOM 19 N LIG 1 5.007 0.082 -0.048 0.00 0.00 -0.318 N ATOM 20 C LIG 1 5.253 0.082 1.417 0.00 0.00 +0.201 C ATOM 21 C LIG 1 6.738 0.065 1.830 0.00 0.00 +0.233 C ATOM 22 O LIG 1 7.064 0.417 2.966 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 7.663 -0.451 0.921 0.00 0.00 -0.302 N ATOM 24 C LIG 1 9.070 -0.403 1.273 0.00 0.00 +0.132 C ATOM 25 C LIG 1 7.338 -0.483 -0.500 0.00 0.00 +0.126 C ATOM 26 C LIG 1 5.878 -0.856 -0.774 0.00 0.00 +0.124 C ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 27 ATOM 27 N LIG 1 -2.901 -0.120 0.692 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.627 0.313 0.116 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -2.932 -1.579 0.532 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -3.527 -3.626 -0.827 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -3.620 -2.096 -0.757 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -5.069 -1.644 -0.889 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.043 -2.001 0.056 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.365 -1.570 -0.085 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.732 -0.774 -1.173 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.771 -0.410 -2.118 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.450 -0.843 -1.977 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -9.089 -0.333 -1.319 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -10.189 0.018 -1.438 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9