REMARK Name = BDB038908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.296 -0.702 -1.276 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -3.185 -0.305 -0.271 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -2.948 0.272 0.959 0.00 0.00 -0.352 N ATOM 4 H LIG 1 -2.028 0.487 1.321 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 -4.125 0.503 1.631 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -5.158 0.042 0.819 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -6.485 0.156 1.284 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -6.729 0.729 2.539 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -5.673 1.184 3.333 0.00 0.00 +0.054 A ATOM 10 C LIG 1 -4.347 1.077 2.890 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -4.566 -0.479 -0.375 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -5.081 -1.081 -1.531 0.00 0.00 +0.045 A ATOM 13 CA LIG 1 -4.149 -1.469 -2.481 0.00 0.00 +0.149 A ATOM 14 N LIG 1 -2.799 -1.304 -2.384 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 1.941 -0.188 -0.996 0.00 0.00 +0.051 A ATOM 16 C LIG 1 1.398 -1.463 -1.164 0.00 0.00 +0.025 A ATOM 17 C LIG 1 0.013 -1.623 -1.276 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -0.851 -0.519 -1.196 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -0.286 0.756 -1.026 0.00 0.00 +0.012 A ATOM 20 C LIG 1 1.098 0.919 -0.919 0.00 0.00 +0.025 A BRANCH 15 22 ATOM 21 C LIG 1 4.220 -0.539 -1.865 0.00 0.00 +0.157 C ATOM 22 N LIG 1 3.352 0.024 -0.802 0.00 0.00 -0.206 N BRANCH 22 23 ATOM 23 S LIG 1 3.852 -0.339 0.807 0.00 0.00 +0.074 S ATOM 24 O LIG 1 2.989 0.359 1.740 0.00 0.00 -0.150 OA ATOM 25 O LIG 1 4.048 -1.773 0.899 0.00 0.00 -0.150 OA BRANCH 23 26 ATOM 26 C LIG 1 5.445 0.444 0.896 0.00 0.00 +0.109 A ATOM 27 C LIG 1 5.514 1.841 0.870 0.00 0.00 +0.029 A ATOM 28 C LIG 1 6.758 2.466 0.940 0.00 0.00 +0.002 A ATOM 29 C LIG 1 7.920 1.699 1.041 0.00 0.00 +0.000 A ATOM 30 C LIG 1 7.844 0.305 1.077 0.00 0.00 +0.002 A ATOM 31 C LIG 1 6.604 -0.329 1.007 0.00 0.00 +0.029 A ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 15 22 ENDBRANCH 1 18 BRANCH 9 32 ATOM 32 C LIG 1 -5.947 1.767 4.615 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -6.165 2.241 5.652 0.00 0.00 -0.191 NA ENDBRANCH 9 32 BRANCH 13 34 ATOM 34 C LIG 1 -4.606 -2.125 -3.741 0.00 0.00 +0.355 C ATOM 35 O LIG 1 -5.764 -2.374 -4.023 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 OXT LIG 1 -3.544 -2.406 -4.536 0.00 0.00 -0.476 OA ATOM 37 HXT LIG 1 -2.723 -2.099 -4.080 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 13 34 TORSDOF 7