REMARK Name = BDB024899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.025 -1.704 1.261 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.397 -0.527 0.817 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.229 0.667 0.557 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.774 0.654 -0.877 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.496 1.959 0.902 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.221 2.079 0.099 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.405 0.821 0.181 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.024 0.881 -0.123 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.280 1.968 -0.501 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.952 1.533 -0.704 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -1.040 0.183 -0.393 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.232 -0.255 -0.068 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.766 -1.498 0.262 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.138 -1.558 0.548 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.979 -0.433 0.524 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.479 -2.747 1.603 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.247 -0.644 -0.420 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.235 -1.640 -1.585 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.577 -2.372 -1.727 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.302 -2.586 -0.387 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.333 -2.627 0.790 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.568 -1.311 0.935 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.340 -3.692 -2.426 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.149 -4.776 -1.902 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.321 -3.565 -3.767 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.136 -4.471 -4.093 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.083 -2.749 1.743 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.390 -1.582 1.295 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.065 2.414 -1.209 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -2.990 3.021 -0.161 0.00 0.00 -0.009 A ATOM 31 C LIG 1 -2.978 2.640 1.192 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -3.858 3.226 2.100 0.00 0.00 +0.159 A ATOM 33 F LIG 1 -3.832 2.836 3.382 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -4.755 4.201 1.686 0.00 0.00 +0.158 A ATOM 35 F LIG 1 -5.601 4.759 2.562 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -4.780 4.608 0.359 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -3.901 4.024 -0.558 0.00 0.00 +0.009 A ENDBRANCH 29 30 BRANCH 29 38 ATOM 38 O LIG 1 -2.804 1.682 -2.190 0.00 0.00 -0.379 OA ATOM 39 H LIG 1 -3.702 2.049 -2.219 0.00 0.00 +0.211 HD ENDBRANCH 29 38 ENDBRANCH 10 29 TORSDOF 7