REMARK Name = BDB039492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.759 0.755 0.195 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -0.741 1.953 -0.434 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -1.932 2.584 -0.471 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.140 2.137 0.062 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.119 3.131 -0.241 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -3.495 4.142 -0.942 0.00 0.00 +0.088 A ATOM 7 C LIG 1 -3.143 0.896 0.730 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -2.177 3.800 -1.051 0.00 0.00 -0.329 N ATOM 9 C LIG 1 -1.908 0.217 0.782 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.165 -0.535 0.364 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.401 -1.688 0.338 0.00 0.00 +0.248 C ATOM 12 O LIG 1 4.774 -2.843 0.386 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.997 -1.266 0.283 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.960 0.121 0.352 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.746 0.789 0.324 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.544 0.051 0.227 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.629 -1.366 0.151 0.00 0.00 +0.011 A ATOM 18 C LIG 1 1.857 -2.036 0.183 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.343 0.663 0.466 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.756 -3.980 1.252 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.115 -2.960 1.009 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.732 -2.123 2.023 0.00 0.00 -0.255 N ATOM 23 H LIG 1 7.951 -2.445 2.955 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.981 -0.978 1.949 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.593 -0.414 2.973 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.610 -0.477 0.553 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.447 -1.103 -0.560 0.00 0.00 +0.041 C ATOM 28 C LIG 1 7.702 -2.590 -0.393 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -1.167 4.612 -1.764 0.00 0.00 +0.089 C ATOM 30 C LIG 1 -1.032 6.104 -1.566 0.00 0.00 +0.027 C ATOM 31 C LIG 1 0.036 5.187 -1.054 0.00 0.00 +0.027 C ENDBRANCH 8 29 BRANCH 7 32 ATOM 32 C LIG 1 -4.365 0.276 1.367 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 -4.727 -1.006 0.754 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -5.221 -0.867 -0.622 0.00 0.00 +0.090 C ATOM 35 C LIG 1 -5.990 -2.167 -0.876 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -6.194 -2.780 0.516 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -5.813 -1.668 1.477 0.00 0.00 +0.085 C BRANCH 35 38 ATOM 38 C LIG 1 -5.248 -3.104 -1.825 0.00 0.00 +0.160 C BRANCH 38 39 ATOM 39 O LIG 1 -6.038 -4.254 -2.104 0.00 0.00 -0.395 OA ATOM 40 H LIG 1 -6.063 -4.796 -1.298 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 7