REMARK Name = BDB019935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.083 -1.095 -0.813 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.095 0.034 0.015 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.085 0.754 0.257 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.277 0.319 -0.344 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.321 -0.839 -1.137 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.124 -1.530 -1.376 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.077 1.935 1.134 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.653 1.919 2.427 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -2.322 0.688 2.986 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.631 3.088 3.206 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.032 4.244 2.721 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -1.016 5.348 3.479 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -0.451 4.272 1.462 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -0.475 3.123 0.672 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.514 -1.210 -1.000 0.00 0.00 -0.305 N ATOM 16 H LIG 1 2.517 -0.203 -0.914 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.316 -1.881 -1.099 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.227 -3.056 -1.438 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.780 -1.855 -1.315 0.00 0.00 +0.100 C ATOM 20 C LIG 1 4.216 -2.808 -0.197 0.00 0.00 +0.033 C BRANCH 19 27 ATOM 21 C LIG 1 6.870 1.883 0.200 0.00 0.00 +0.047 C ATOM 22 C LIG 1 6.291 1.028 -0.886 0.00 0.00 -0.015 A ATOM 23 C LIG 1 6.725 1.175 -2.204 0.00 0.00 +0.126 A ATOM 24 F LIG 1 7.643 2.105 -2.506 0.00 0.00 -0.205 F ATOM 25 C LIG 1 6.220 0.376 -3.223 0.00 0.00 +0.039 A ATOM 26 C LIG 1 5.269 -0.602 -2.929 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.829 -0.794 -1.610 0.00 0.00 -0.027 A ATOM 28 C LIG 1 5.347 0.033 -0.596 0.00 0.00 +0.011 A ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 -3.608 -1.328 -1.769 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -4.772 -1.097 -0.937 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -5.045 -1.745 0.276 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -4.326 -2.570 0.948 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -3.436 -2.711 0.469 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -6.318 -1.289 0.626 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -7.015 -1.736 1.805 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -6.798 -0.425 -0.342 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -5.863 -0.309 -1.295 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6