REMARK Name = BDB009500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.543 0.309 0.660 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.216 -0.741 1.518 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.990 -1.329 1.469 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.131 -1.207 2.459 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.395 -0.624 2.551 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.755 0.428 1.699 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.816 0.896 0.765 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.030 1.751 -1.109 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.392 0.839 -0.372 0.00 0.00 +0.247 C ATOM 10 N LIG 1 1.645 0.268 -0.454 0.00 0.00 -0.308 N ATOM 11 H LIG 1 1.917 -0.398 0.262 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 2.677 0.797 -1.341 0.00 0.00 +0.076 C ATOM 13 C LIG 1 3.706 -0.286 -1.691 0.00 0.00 +0.041 C ATOM 14 C LIG 1 4.938 -0.222 -0.793 0.00 0.00 +0.110 C ATOM 15 N LIG 1 5.586 1.090 -0.845 0.00 0.00 -0.297 N ATOM 16 C LIG 1 6.972 1.284 -0.851 0.00 0.00 +0.250 C ATOM 17 O LIG 1 7.470 2.318 -1.294 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.749 2.231 -1.209 0.00 0.00 +0.110 C ATOM 19 C LIG 1 3.319 2.048 -0.725 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 7.832 0.241 -0.312 0.00 0.00 +0.074 A ATOM 21 C LIG 1 7.612 -0.644 0.727 0.00 0.00 +0.118 A ATOM 22 N LIG 1 8.757 -1.375 0.863 0.00 0.00 -0.284 N ATOM 23 H LIG 1 8.958 -2.113 1.530 0.00 0.00 +0.188 HD ATOM 24 N LIG 1 9.718 -1.029 -0.005 0.00 0.00 -0.182 NA ATOM 25 C LIG 1 9.168 -0.027 -0.697 0.00 0.00 +0.147 A ENDBRANCH 16 20 ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -4.120 1.072 1.802 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.264 0.084 1.608 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.693 -0.271 0.210 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -5.043 0.241 -0.908 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -4.065 0.473 -0.755 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -5.301 -0.320 -2.231 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -6.791 -0.613 -2.376 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -7.293 -1.509 -1.236 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.742 -1.101 0.103 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -7.384 -1.657 1.314 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -8.333 -2.432 1.244 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -6.848 -1.268 2.512 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.282 -1.634 3.354 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -5.812 -0.402 2.684 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5