REMARK Name = BDB036553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.904 -0.435 0.590 0.00 0.00 +0.078 A ATOM 2 C LIG 1 -0.095 -0.551 1.592 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -1.279 -1.274 1.364 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -1.480 -1.880 0.109 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -0.477 -1.755 -0.837 0.00 0.00 +0.171 A ATOM 6 O LIG 1 -0.829 -2.424 -1.964 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -2.070 -3.004 -1.788 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -2.469 -2.654 -0.559 0.00 0.00 +0.188 A ATOM 9 C LIG 1 0.711 -1.053 -0.652 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.067 0.317 0.901 0.00 0.00 -0.295 N ATOM 11 H LIG 1 2.004 0.646 1.863 0.00 0.00 +0.154 HD BRANCH 10 15 ATOM 12 N LIG 1 4.653 0.863 -1.318 0.00 0.00 -0.267 N ATOM 13 C LIG 1 5.165 1.514 -0.234 0.00 0.00 +0.044 A ATOM 14 C LIG 1 4.220 1.392 0.756 0.00 0.00 +0.068 A ATOM 15 C LIG 1 3.168 0.632 0.183 0.00 0.00 +0.145 A ATOM 16 N LIG 1 3.443 0.323 -1.087 0.00 0.00 -0.156 NA BRANCH 13 17 ATOM 17 C LIG 1 6.508 2.275 -0.132 0.00 0.00 +0.038 C ATOM 18 C LIG 1 7.354 2.126 1.104 0.00 0.00 +0.010 C ATOM 19 C LIG 1 7.792 1.491 -0.182 0.00 0.00 +0.010 C ENDBRANCH 13 17 BRANCH 12 21 ATOM 20 C LIG 1 5.854 -0.644 -2.856 0.00 0.00 +0.029 C ATOM 21 C LIG 1 5.247 0.730 -2.633 0.00 0.00 +0.140 C ENDBRANCH 12 21 ENDBRANCH 10 15 ENDBRANCH 1 10 BRANCH 2 22 ATOM 22 O LIG 1 0.206 0.090 2.777 0.00 0.00 -0.493 OA ATOM 23 C LIG 1 -0.792 0.072 3.792 0.00 0.00 +0.277 C ENDBRANCH 2 22 BRANCH 8 24 ATOM 24 N LIG 1 -3.726 -3.083 -0.147 0.00 0.00 -0.196 N ATOM 25 H LIG 1 -4.244 -3.581 -0.869 0.00 0.00 +0.175 HD BRANCH 24 26 ATOM 26 S LIG 1 -4.765 -2.193 0.821 0.00 0.00 +0.081 S ATOM 27 O LIG 1 -4.232 -2.242 2.167 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 -6.103 -2.691 0.568 0.00 0.00 -0.150 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.704 -0.536 0.183 0.00 0.00 +0.191 A ATOM 30 C LIG 1 -4.483 0.556 1.030 0.00 0.00 +0.150 A ATOM 31 C LIG 1 -4.366 1.844 0.501 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -4.524 2.053 -0.864 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -4.789 0.975 -1.710 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -4.875 -0.327 -1.200 0.00 0.00 +0.150 A BRANCH 30 35 ATOM 35 O LIG 1 -4.301 0.434 2.380 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -5.546 0.583 3.068 0.00 0.00 +0.277 C ENDBRANCH 30 35 BRANCH 34 37 ATOM 37 O LIG 1 -5.142 -1.422 -1.980 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -4.976 -1.285 -3.388 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 8 24 TORSDOF 10