REMARK Name = BDB001735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.103 -1.526 0.317 0.00 0.00 +0.117 A ATOM 2 N LIG 1 -0.700 -1.852 -0.771 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.692 -2.010 -0.648 0.00 0.00 +0.170 HD ATOM 4 C LIG 1 -0.257 -1.895 -2.087 0.00 0.00 +0.281 A ATOM 5 O LIG 1 -1.013 -2.127 -3.023 0.00 0.00 -0.265 OA ATOM 6 C LIG 1 1.150 -1.619 -2.189 0.00 0.00 +0.195 A ATOM 7 N LIG 1 1.974 -1.582 -3.271 0.00 0.00 -0.122 NA ATOM 8 N LIG 1 3.193 -1.271 -2.829 0.00 0.00 -0.063 NA ATOM 9 N LIG 1 3.114 -1.095 -1.486 0.00 0.00 -0.222 N ATOM 10 C LIG 1 1.845 -1.331 -1.039 0.00 0.00 +0.186 A ATOM 11 N LIG 1 1.381 -1.271 0.235 0.00 0.00 -0.213 NA ENDROOT BRANCH 1 16 ATOM 12 O LIG 1 -4.806 -0.940 -0.288 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.797 -0.402 0.157 0.00 0.00 +0.247 C ATOM 14 N LIG 1 -2.964 -1.011 1.097 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -1.722 -0.440 1.635 0.00 0.00 +0.119 C ATOM 16 C LIG 1 -0.589 -1.475 1.673 0.00 0.00 +0.072 C ATOM 17 C LIG 1 -1.046 -2.874 2.119 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -2.461 -2.865 2.686 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -3.440 -2.262 1.686 0.00 0.00 +0.108 C BRANCH 13 20 ATOM 20 C LIG 1 -3.427 0.924 -0.370 0.00 0.00 +0.037 A ATOM 21 C LIG 1 -3.519 2.056 0.445 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -3.156 3.301 -0.069 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -2.715 3.408 -1.391 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.646 2.276 -2.206 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -3.010 1.029 -1.700 0.00 0.00 +0.013 A ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 9 26 ATOM 26 C LIG 1 4.288 -0.757 -0.710 0.00 0.00 +0.182 C BRANCH 26 27 ATOM 27 C LIG 1 4.384 0.729 -0.472 0.00 0.00 -0.026 A ATOM 28 C LIG 1 3.924 1.291 0.728 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.004 2.668 0.941 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.538 3.497 -0.043 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.989 2.951 -1.244 0.00 0.00 +0.000 A ATOM 32 C LIG 1 4.911 1.575 -1.459 0.00 0.00 +0.005 A ENDBRANCH 26 27 ENDBRANCH 9 26 TORSDOF 4