REMARK Name = BDB019764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.246 -0.083 -1.444 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.929 -1.275 -1.171 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.184 -1.251 -0.544 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.749 -0.011 -0.209 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.087 1.195 -0.494 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.833 1.146 -1.116 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.904 -2.498 -0.262 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.636 -3.301 0.861 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -1.586 -2.920 1.867 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -3.297 -4.460 1.117 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -4.255 -4.834 0.246 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -4.910 -5.977 0.497 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -4.598 -4.114 -0.881 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -3.912 -2.930 -1.136 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.880 -1.183 -1.906 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.628 -1.843 -1.184 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.089 -0.072 -2.104 0.00 0.00 +0.244 C ATOM 18 O LIG 1 1.440 0.907 -2.752 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.254 -1.219 -2.356 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 5.634 -1.842 0.560 0.00 0.00 +0.124 A ATOM 21 C LIG 1 5.895 -0.536 0.986 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.306 0.548 0.328 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.457 0.317 -0.758 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.192 -0.984 -1.203 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.783 -2.058 -0.527 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 7.040 -2.834 2.206 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.138 -2.986 1.118 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 5.470 1.869 0.647 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.357 2.173 1.716 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.721 2.519 -0.135 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -3.960 2.679 -0.871 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -3.840 2.478 -1.861 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.737 3.773 -0.732 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -4.931 4.259 0.521 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -5.069 3.533 1.213 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -6.007 5.225 0.432 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -6.056 5.494 -1.075 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -5.338 4.362 -1.723 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9