REMARK Name = BDB022993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.764 -0.202 0.297 0.00 0.00 +0.216 A ATOM 2 N LIG 1 1.915 -0.961 1.000 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 0.690 -0.453 1.270 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.254 -1.322 2.082 0.00 0.00 +0.164 C ATOM 5 N LIG 1 -1.657 -0.852 1.993 0.00 0.00 -0.289 N ATOM 6 C LIG 1 -1.745 0.580 2.256 0.00 0.00 +0.042 C ATOM 7 C LIG 1 -2.805 1.234 3.118 0.00 0.00 +0.028 C ATOM 8 C LIG 1 -1.040 1.405 1.173 0.00 0.00 +0.064 C ATOM 9 C LIG 1 -1.448 1.026 3.691 0.00 0.00 +0.028 C ATOM 10 C LIG 1 -2.512 -1.628 1.217 0.00 0.00 +0.220 C ATOM 11 O LIG 1 -2.123 -2.716 0.764 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 0.316 0.827 0.886 0.00 0.00 -0.004 A ATOM 13 C LIG 1 1.263 1.522 0.169 0.00 0.00 +0.120 A ATOM 14 N LIG 1 2.483 1.037 -0.125 0.00 0.00 -0.223 NA ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 -3.982 -1.289 0.953 0.00 0.00 +0.085 C ATOM 16 C LIG 1 -4.349 0.071 0.325 0.00 0.00 +0.045 C ATOM 17 C LIG 1 -5.833 0.426 0.654 0.00 0.00 +0.093 C ATOM 18 N LIG 1 -6.767 -0.699 0.780 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 -7.127 -1.262 -0.520 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -6.324 -1.729 1.729 0.00 0.00 +0.085 C ATOM 21 C LIG 1 -4.859 -1.614 2.165 0.00 0.00 +0.029 C BRANCH 16 22 ATOM 22 C LIG 1 -3.994 0.275 -1.150 0.00 0.00 -0.042 A ATOM 23 C LIG 1 -3.470 -0.731 -1.974 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.132 -0.470 -3.306 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.305 0.803 -3.839 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.811 1.821 -3.039 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.146 1.560 -1.708 0.00 0.00 +0.004 A ENDBRANCH 16 22 ENDBRANCH 10 15 BRANCH 1 28 ATOM 28 N LIG 1 3.995 -0.785 0.032 0.00 0.00 -0.311 N ATOM 29 H LIG 1 4.056 -1.562 0.682 0.00 0.00 +0.149 HD BRANCH 28 33 ATOM 30 C LIG 1 7.560 -0.342 -1.815 0.00 0.00 +0.118 C ATOM 31 C LIG 1 6.739 0.956 -1.803 0.00 0.00 +0.033 C ATOM 32 C LIG 1 5.286 0.710 -1.421 0.00 0.00 +0.025 C ATOM 33 C LIG 1 5.145 0.115 -0.004 0.00 0.00 +0.073 C ATOM 34 C LIG 1 6.407 -0.668 0.416 0.00 0.00 +0.025 C ATOM 35 C LIG 1 7.067 -1.359 -0.775 0.00 0.00 +0.033 C BRANCH 30 37 ATOM 36 C LIG 1 9.627 0.556 -2.598 0.00 0.00 +0.194 C ATOM 37 O LIG 1 8.932 -0.052 -1.516 0.00 0.00 -0.380 OA ENDBRANCH 30 37 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 5