REMARK Name = BDB002348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.819 -1.462 -0.330 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.355 -1.799 -0.690 0.00 0.00 +0.236 C ATOM 3 O LIG 1 -0.533 -1.821 0.169 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.074 -2.041 -2.026 0.00 0.00 -0.291 N ATOM 5 C LIG 1 1.063 -1.808 -3.073 0.00 0.00 +0.108 C ATOM 6 C LIG 1 2.150 -2.882 -3.102 0.00 0.00 +0.019 C ATOM 7 C LIG 1 2.468 -3.546 -1.762 0.00 0.00 +0.004 C ATOM 8 C LIG 1 2.805 -2.604 -0.607 0.00 0.00 +0.032 C ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 2.825 -0.260 1.598 0.00 0.00 +0.230 C ATOM 10 N LIG 1 1.845 -1.071 1.079 0.00 0.00 -0.303 N ATOM 11 H LIG 1 1.028 -1.317 1.629 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 3.803 0.082 0.931 0.00 0.00 -0.274 OA BRANCH 9 13 ATOM 13 C LIG 1 2.648 0.121 3.093 0.00 0.00 +0.137 C ATOM 14 C LIG 1 1.246 0.636 3.420 0.00 0.00 +0.034 C BRANCH 13 16 ATOM 15 C LIG 1 3.535 2.426 3.063 0.00 0.00 +0.101 C ATOM 16 N LIG 1 3.722 1.053 3.521 0.00 0.00 -0.309 NA ATOM 17 H LIG 1 4.591 0.708 3.101 0.00 0.00 +0.122 HD ENDBRANCH 13 16 ENDBRANCH 9 13 ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.304 -2.325 -2.430 0.00 0.00 +0.203 C BRANCH 18 19 ATOM 19 C LIG 1 -2.068 -1.024 -2.703 0.00 0.00 +0.235 C ATOM 20 N LIG 1 -2.337 -0.318 -1.540 0.00 0.00 -0.284 N ATOM 21 H LIG 1 -1.974 -0.747 -0.693 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 -2.353 -0.700 -3.853 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -2.974 0.942 -1.393 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -3.083 1.529 -0.088 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -3.706 2.801 0.031 0.00 0.00 -0.016 A ATOM 26 C LIG 1 -3.828 3.423 1.286 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -3.348 2.815 2.442 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -2.742 1.572 2.358 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.205 3.451 -1.104 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.101 2.867 -2.360 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -2.613 0.940 1.117 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -3.491 1.624 -2.502 0.00 0.00 +0.024 A ENDBRANCH 20 23 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 6