REMARK Name = BDB009103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.113 0.840 -0.709 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.276 1.311 -0.082 0.00 0.00 +0.027 A ATOM 3 C LIG 1 2.323 1.888 -0.821 0.00 0.00 -0.040 A ATOM 4 C LIG 1 2.174 2.019 -2.206 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.023 1.550 -2.837 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.000 0.958 -2.093 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 -2.629 -0.118 -1.370 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.120 -0.203 -0.258 0.00 0.00 +0.250 C ATOM 9 N LIG 1 -0.871 0.259 0.118 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -0.658 0.251 1.108 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 -2.922 -0.815 0.843 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -4.320 -0.611 0.901 0.00 0.00 +0.044 A ATOM 13 C LIG 1 -5.015 -1.141 2.001 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -4.369 -1.925 2.961 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.006 -2.180 2.851 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.281 -1.626 1.797 0.00 0.00 +0.015 A BRANCH 12 17 ATOM 17 N LIG 1 -4.987 0.230 -0.035 0.00 0.00 -0.314 N ATOM 18 H LIG 1 -4.395 0.333 -0.874 0.00 0.00 +0.152 HD BRANCH 17 19 ATOM 19 C LIG 1 -6.333 0.137 -0.467 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -6.997 -1.087 -0.613 0.00 0.00 +0.023 A ATOM 21 C LIG 1 -8.299 -1.135 -1.119 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -8.940 0.038 -1.509 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -8.276 1.258 -1.405 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -6.975 1.303 -0.900 0.00 0.00 +0.023 A ENDBRANCH 17 19 ENDBRANCH 12 17 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 25 ATOM 25 C LIG 1 3.567 2.407 -0.136 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 4.200 1.402 0.824 0.00 0.00 +0.069 A ATOM 27 C LIG 1 5.133 0.359 0.293 0.00 0.00 -0.016 A ATOM 28 C LIG 1 5.436 0.269 -1.177 0.00 0.00 +0.037 C ATOM 29 C LIG 1 6.155 -1.025 -1.573 0.00 0.00 +0.005 C ATOM 30 C LIG 1 7.248 -1.379 -0.574 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.668 -1.552 0.832 0.00 0.00 +0.041 C ATOM 32 C LIG 1 5.678 -0.479 1.192 0.00 0.00 +0.023 A ATOM 33 C LIG 1 5.320 -0.365 2.628 0.00 0.00 +0.268 A ATOM 34 O LIG 1 5.781 -1.125 3.473 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 4.442 0.634 2.949 0.00 0.00 -0.243 N ATOM 36 H LIG 1 4.195 0.736 3.928 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 3.884 1.518 2.080 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 6