REMARK Name = BDB035758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.564 1.362 0.211 0.00 0.00 -0.030 A ATOM 2 C LIG 1 3.619 2.320 -0.831 0.00 0.00 +0.014 A ATOM 3 C LIG 1 2.491 2.636 -1.615 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.304 1.972 -1.325 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -0.040 2.074 -1.972 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.867 1.156 -1.200 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.117 0.507 -0.213 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.433 -0.345 0.598 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.251 1.035 -0.298 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.349 0.711 0.477 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.250 0.972 -1.472 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.058 0.163 -0.660 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.426 -0.037 -0.932 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.993 0.604 -2.040 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.212 1.421 -2.851 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.855 1.605 -2.568 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.256 -0.927 -0.009 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -6.030 -1.961 -0.772 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.476 -3.079 -1.350 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.094 -3.480 -1.350 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -6.498 -3.743 -1.954 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -7.617 -3.084 -1.771 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -7.323 -1.964 -1.034 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -6.052 -0.029 0.937 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -7.048 -0.661 1.924 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -7.958 0.460 1.740 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -7.277 0.791 0.495 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.582 3.688 -2.688 0.00 0.00 +0.372 C ATOM 29 F LIG 1 3.769 3.660 -3.353 0.00 0.00 -0.204 F ATOM 30 F LIG 1 1.620 3.564 -3.644 0.00 0.00 -0.204 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 31 C LIG 1 4.619 1.549 2.464 0.00 0.00 +0.029 C ATOM 32 C LIG 1 4.818 1.048 1.029 0.00 0.00 +0.081 C BRANCH 32 33 ATOM 33 N LIG 1 5.108 -0.391 0.926 0.00 0.00 -0.304 NA ATOM 34 H LIG 1 5.059 -0.646 -0.062 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.361 -0.831 1.559 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.101 -1.198 3.048 0.00 0.00 +0.022 C ATOM 37 C LIG 1 6.823 -2.536 2.786 0.00 0.00 +0.004 C ATOM 38 C LIG 1 6.458 -2.369 1.298 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.609 -0.052 1.185 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 8