REMARK Name = BDB000010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.393 0.607 0.377 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.167 0.386 -0.598 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.705 1.053 1.123 0.00 0.00 +0.044 A ATOM 4 C LIG 1 2.001 0.874 0.658 0.00 0.00 +0.071 A ATOM 5 C LIG 1 2.480 0.286 -0.592 0.00 0.00 +0.256 C ATOM 6 N LIG 1 3.846 0.318 -0.552 0.00 0.00 -0.222 N ATOM 7 C LIG 1 4.296 0.942 0.579 0.00 0.00 +0.255 C ATOM 8 O LIG 1 5.440 1.189 0.911 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 1.747 -0.111 -1.480 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 3.117 1.280 1.371 0.00 0.00 +0.051 A ATOM 11 C LIG 1 3.018 1.898 2.600 0.00 0.00 +0.014 A ATOM 12 C LIG 1 1.732 2.103 3.101 0.00 0.00 +0.003 A ATOM 13 C LIG 1 0.595 1.686 2.371 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 4.721 -0.024 -1.664 0.00 0.00 +0.171 C ATOM 15 C LIG 1 4.643 1.081 -2.723 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.298 2.236 -2.482 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 5.058 0.725 -3.987 0.00 0.00 -0.255 N ATOM 18 H LIG 1 5.019 1.455 -4.686 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 5.395 -0.525 -4.443 0.00 0.00 +0.219 C ATOM 20 O LIG 1 5.703 -0.710 -5.617 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 5.429 -1.635 -3.417 0.00 0.00 +0.098 C ATOM 22 C LIG 1 4.431 -1.382 -2.296 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 24 ATOM 23 C LIG 1 -2.750 0.349 -0.235 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -1.715 0.240 0.728 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -2.022 -0.196 2.030 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -3.348 -0.531 2.347 0.00 0.00 +0.051 A ATOM 27 C LIG 1 -4.381 -0.433 1.415 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.584 -0.829 2.067 0.00 0.00 +0.027 A ATOM 29 C LIG 1 -5.268 -1.159 3.366 0.00 0.00 +0.087 A ATOM 30 N LIG 1 -3.921 -0.995 3.506 0.00 0.00 -0.344 N ATOM 31 C LIG 1 -4.076 0.008 0.115 0.00 0.00 +0.020 A BRANCH 23 37 ATOM 32 C LIG 1 -2.363 -0.503 -5.152 0.00 0.00 +0.065 C ATOM 33 C LIG 1 -2.308 0.426 -3.977 0.00 0.00 +0.039 A ATOM 34 N LIG 1 -2.007 1.722 -4.224 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 -1.946 2.556 -3.165 0.00 0.00 +0.111 A ATOM 36 C LIG 1 -2.179 2.162 -1.859 0.00 0.00 +0.028 A ATOM 37 C LIG 1 -2.494 0.824 -1.607 0.00 0.00 -0.013 A ATOM 38 C LIG 1 -2.557 -0.054 -2.695 0.00 0.00 +0.031 A ENDBRANCH 23 37 BRANCH 30 39 ATOM 39 C LIG 1 -3.194 -1.222 4.774 0.00 0.00 +0.087 C ATOM 40 C LIG 1 -2.098 -2.256 4.894 0.00 0.00 +0.027 C ATOM 41 C LIG 1 -3.397 -2.463 5.612 0.00 0.00 +0.027 C ENDBRANCH 30 39 ENDBRANCH 1 24 TORSDOF 5