REMARK Name = BDB024337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.410 0.003 0.444 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.717 -1.486 0.510 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.055 -2.185 -0.661 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.344 -3.550 -0.616 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.300 -4.233 0.597 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.965 -3.554 1.767 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.676 -2.189 1.725 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.035 0.274 0.974 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.990 0.215 -0.019 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.715 -0.024 -0.962 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.255 0.492 2.166 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.365 0.406 0.088 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -4.014 0.244 -1.084 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -5.362 0.411 -1.080 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -6.117 0.736 0.042 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -5.413 0.902 1.235 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -4.025 0.736 1.261 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -7.556 0.907 -0.011 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -8.397 0.349 -0.952 0.00 0.00 +0.113 A ATOM 20 N LIG 1 -9.662 0.748 -0.628 0.00 0.00 -0.284 N ATOM 21 H LIG 1 -10.533 0.524 -1.099 0.00 0.00 +0.188 HD ATOM 22 N LIG 1 -9.711 1.531 0.460 0.00 0.00 -0.182 NA ATOM 23 C LIG 1 -8.434 1.625 0.837 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 1.349 0.854 1.210 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 1.181 0.680 2.203 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 2.769 0.673 0.903 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 2.859 2.515 -0.870 0.00 0.00 +0.014 C ATOM 28 C LIG 1 3.197 1.056 -0.535 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 4.676 0.749 -0.739 0.00 0.00 -0.043 A ATOM 30 C LIG 1 5.050 -0.391 -1.468 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.398 -0.708 -1.657 0.00 0.00 +0.019 A ATOM 32 C LIG 1 7.393 0.108 -1.114 0.00 0.00 +0.052 A ATOM 33 C LIG 1 7.032 1.240 -0.378 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.684 1.555 -0.189 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 8.776 -0.215 -1.307 0.00 0.00 +0.099 C ATOM 36 N LIG 1 9.895 -0.479 -1.464 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9