REMARK Name = BDB009229 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.959 -0.740 -0.286 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.098 -1.110 0.557 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.170 -1.869 0.067 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -1.157 -2.268 -1.277 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.113 -1.890 -2.123 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.942 -1.119 -1.633 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 1.773 0.918 1.137 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.059 0.088 0.282 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.319 -0.209 -0.205 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.395 -1.018 -0.808 0.00 0.00 +0.155 HD BRANCH 9 11 ATOM 11 C LIG 1 4.537 0.430 0.115 0.00 0.00 +0.036 A ATOM 12 C LIG 1 5.702 -0.121 -0.447 0.00 0.00 +0.051 A ATOM 13 C LIG 1 6.925 0.495 -0.150 0.00 0.00 +0.067 A ATOM 14 C LIG 1 7.027 1.617 0.662 0.00 0.00 +0.020 A ATOM 15 C LIG 1 8.409 1.906 0.696 0.00 0.00 +0.142 A ATOM 16 N LIG 1 9.133 1.049 -0.029 0.00 0.00 -0.181 NA ATOM 17 C LIG 1 5.861 2.165 1.215 0.00 0.00 +0.013 A ATOM 18 N LIG 1 8.210 0.207 -0.528 0.00 0.00 -0.277 N ATOM 19 H LIG 1 8.526 -0.550 -1.124 0.00 0.00 +0.189 HD ATOM 20 C LIG 1 4.625 1.561 0.931 0.00 0.00 +0.024 A ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.306 -2.266 0.981 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -3.677 -1.842 0.461 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -4.095 -0.407 0.551 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -3.207 0.623 1.192 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -3.930 1.938 1.503 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -4.808 2.369 0.335 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.855 1.301 0.014 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -5.298 -0.096 0.037 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -6.153 -1.156 -0.554 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -7.261 -0.911 -1.018 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -5.631 -2.421 -0.543 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -6.201 -3.160 -0.940 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -4.414 -2.780 -0.057 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4