REMARK Name = BDB065024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.556 -0.243 -1.346 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.890 0.357 -0.340 0.00 0.00 +0.102 A ATOM 3 N LIG 1 1.533 0.220 -0.249 0.00 0.00 -0.250 N ATOM 4 C LIG 1 0.761 -0.489 -1.113 0.00 0.00 +0.174 A ATOM 5 N LIG 1 -0.503 -0.485 -0.834 0.00 0.00 -0.143 NA ATOM 6 N LIG 1 -0.601 0.287 0.313 0.00 0.00 -0.180 N ATOM 7 C LIG 1 1.446 -1.157 -2.235 0.00 0.00 +0.100 A ATOM 8 C LIG 1 0.681 0.747 0.703 0.00 0.00 +0.356 A ATOM 9 O LIG 1 0.999 1.448 1.653 0.00 0.00 -0.244 OA ATOM 10 C LIG 1 2.786 -1.020 -2.318 0.00 0.00 +0.022 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.857 0.505 0.916 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -3.020 -0.047 0.348 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -4.315 0.129 0.895 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.384 0.898 2.071 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.246 1.458 2.655 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.991 1.263 2.079 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 C LIG 1 -5.606 -0.529 0.180 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.657 -2.104 0.204 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.551 -1.997 1.463 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.652 -3.029 1.602 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -6.975 -0.601 0.947 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.794 0.076 -1.271 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.968 1.391 -1.607 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.016 2.528 -0.732 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.085 1.421 -2.962 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.998 0.202 -3.438 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.810 -0.647 -2.373 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 7 28 ATOM 28 C LIG 1 0.582 -1.920 -3.167 0.00 0.00 +0.421 C ATOM 29 F LIG 1 1.313 -2.503 -4.159 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.084 -2.928 -2.551 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.333 -1.136 -3.786 0.00 0.00 -0.166 F ENDBRANCH 7 28 BRANCH 1 32 ATOM 32 C LIG 1 5.058 -0.175 -1.554 0.00 0.00 +0.121 C BRANCH 32 36 ATOM 33 C LIG 1 9.287 1.855 0.051 0.00 0.00 +0.009 C ATOM 34 C LIG 1 8.210 0.803 0.300 0.00 0.00 +0.000 C ATOM 35 C LIG 1 7.131 0.841 -0.804 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.827 0.289 -0.392 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.982 -0.743 0.635 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.519 -0.115 1.927 0.00 0.00 +0.016 C ATOM 39 C LIG 1 7.574 0.969 1.680 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 6