REMARK Name = BDB034581 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.496 -0.327 2.283 0.00 0.00 -0.279 N ATOM 2 H LIG 1 -0.057 -0.332 1.437 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.083 -0.905 3.408 0.00 0.00 +0.284 C ATOM 4 O LIG 1 0.525 -1.188 4.435 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.513 1.032 0.607 0.00 0.00 -0.042 A ATOM 6 C LIG 1 2.215 0.548 0.855 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.822 0.133 2.136 0.00 0.00 +0.034 A ATOM 8 C LIG 1 2.741 0.214 3.181 0.00 0.00 +0.023 A ATOM 9 C LIG 1 4.032 0.696 2.950 0.00 0.00 +0.002 A ATOM 10 C LIG 1 4.417 1.102 1.673 0.00 0.00 +0.004 A BRANCH 5 12 ATOM 11 C LIG 1 3.102 2.650 -1.274 0.00 0.00 +0.013 C ATOM 12 C LIG 1 3.949 1.467 -0.786 0.00 0.00 +0.023 C BRANCH 12 13 ATOM 13 C LIG 1 3.912 0.271 -1.759 0.00 0.00 +0.084 C BRANCH 13 14 ATOM 14 C LIG 1 4.626 0.554 -3.036 0.00 0.00 +0.134 A ATOM 15 N LIG 1 5.950 0.296 -3.277 0.00 0.00 -0.320 N ATOM 16 C LIG 1 6.908 -0.289 -2.379 0.00 0.00 +0.151 C ATOM 17 C LIG 1 6.190 0.704 -4.552 0.00 0.00 +0.224 A ATOM 18 N LIG 1 5.085 1.182 -5.074 0.00 0.00 -0.138 NA ATOM 19 N LIG 1 4.099 1.083 -4.122 0.00 0.00 -0.135 NA ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 3 20 ATOM 20 C LIG 1 -1.510 -1.168 3.243 0.00 0.00 +0.195 A ATOM 21 N LIG 1 -2.391 -0.395 2.528 0.00 0.00 -0.337 N ATOM 22 H LIG 1 -2.178 0.460 2.030 0.00 0.00 +0.167 HD ATOM 23 C LIG 1 -3.630 -0.982 2.572 0.00 0.00 +0.062 A ATOM 24 C LIG 1 -3.478 -2.099 3.378 0.00 0.00 +0.166 A ATOM 25 N LIG 1 -2.152 -2.188 3.788 0.00 0.00 -0.219 NA BRANCH 24 26 ATOM 26 C LIG 1 -4.524 -3.103 3.776 0.00 0.00 +0.436 C ATOM 27 F LIG 1 -4.903 -3.869 2.716 0.00 0.00 -0.164 F ATOM 28 F LIG 1 -4.124 -3.952 4.756 0.00 0.00 -0.164 F ATOM 29 F LIG 1 -5.654 -2.490 4.223 0.00 0.00 -0.164 F ENDBRANCH 24 26 BRANCH 23 30 ATOM 30 C LIG 1 -4.806 -0.406 1.868 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -4.408 0.104 0.556 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 -4.173 -0.979 -0.422 0.00 0.00 +0.091 C ATOM 33 C LIG 1 -4.332 -0.253 -1.737 0.00 0.00 -0.015 C ATOM 34 C LIG 1 -4.623 -1.028 -3.004 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -3.283 -0.377 -2.821 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -4.996 1.071 -1.486 0.00 0.00 +0.023 C ATOM 37 C LIG 1 -5.462 0.939 -0.042 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 3 20 TORSDOF 8