REMARK Name = BDB043011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.320 -0.295 2.290 0.00 0.00 +0.281 A ATOM 2 C LIG 1 -3.152 -0.993 1.946 0.00 0.00 +0.191 A ATOM 3 N LIG 1 -3.204 -2.305 1.622 0.00 0.00 -0.173 NA ATOM 4 C LIG 1 -4.423 -2.869 1.649 0.00 0.00 +0.338 A ATOM 5 N LIG 1 -5.556 -2.254 2.042 0.00 0.00 -0.089 NA ATOM 6 N LIG 1 -5.505 -0.939 2.372 0.00 0.00 -0.103 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.882 -0.359 2.002 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -1.074 -0.642 0.786 0.00 0.00 +0.116 C ATOM 9 C LIG 1 0.135 -1.455 1.262 0.00 0.00 +0.013 C ATOM 10 C LIG 1 0.715 -2.491 0.273 0.00 0.00 +0.094 C ATOM 11 N LIG 1 1.631 -1.429 -0.231 0.00 0.00 -0.298 NA ATOM 12 C LIG 1 1.514 -0.761 1.096 0.00 0.00 +0.094 C ATOM 13 C LIG 1 -0.211 -1.939 2.659 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -1.127 -0.835 3.174 0.00 0.00 +0.107 C BRANCH 11 15 ATOM 15 C LIG 1 3.002 -1.957 -0.471 0.00 0.00 +0.059 C BRANCH 15 16 ATOM 16 C LIG 1 2.959 -2.931 -1.699 0.00 0.00 -0.000 C ATOM 17 C LIG 1 2.784 -2.227 -3.048 0.00 0.00 +0.009 C ATOM 18 C LIG 1 4.137 -3.910 -1.749 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 3.956 -0.738 -0.632 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 5.438 -1.087 -0.798 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 6.376 0.109 -0.553 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 6.122 1.270 -1.415 0.00 0.00 -0.303 NA ATOM 23 C LIG 1 6.397 0.997 -2.825 0.00 0.00 +0.105 C BRANCH 22 24 ATOM 24 C LIG 1 6.835 2.475 -0.949 0.00 0.00 +0.112 C BRANCH 24 25 ATOM 25 C LIG 1 8.375 2.412 -0.892 0.00 0.00 +0.174 C BRANCH 25 26 ATOM 26 O LIG 1 8.959 3.687 -0.606 0.00 0.00 -0.382 OA ATOM 27 C LIG 1 8.857 4.060 0.761 0.00 0.00 +0.194 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 4 28 ATOM 28 O LIG 1 -4.555 -4.204 1.326 0.00 0.00 -0.465 OA ATOM 29 C LIG 1 -3.555 -4.620 0.405 0.00 0.00 +0.280 C ENDBRANCH 4 28 BRANCH 1 30 ATOM 30 O LIG 1 -4.376 1.027 2.663 0.00 0.00 -0.434 OA BRANCH 30 32 ATOM 31 C LIG 1 -3.822 2.112 0.516 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -3.700 1.952 1.904 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -2.885 2.834 2.626 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -2.157 3.822 1.962 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -2.253 3.934 0.580 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -1.547 4.880 -0.051 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -3.078 3.091 -0.152 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -6.045 1.607 -0.444 0.00 0.00 -0.295 N ATOM 39 C LIG 1 -4.695 1.270 -0.319 0.00 0.00 +0.250 C ATOM 40 O LIG 1 -4.146 0.339 -0.901 0.00 0.00 -0.270 OA BRANCH 38 41 ATOM 41 C LIG 1 -6.921 0.796 -1.314 0.00 0.00 +0.070 C ATOM 42 C LIG 1 -6.505 0.872 -2.784 0.00 0.00 +0.028 C ATOM 43 C LIG 1 -7.056 -0.651 -0.840 0.00 0.00 +0.028 C ENDBRANCH 38 41 BRANCH 38 45 ATOM 44 C LIG 1 -7.524 2.301 1.430 0.00 0.00 +0.024 C ATOM 45 C LIG 1 -6.674 2.740 0.247 0.00 0.00 +0.105 C ENDBRANCH 38 45 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 16