REMARK Name = BDB034014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.008 0.882 0.136 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.839 3.362 0.123 0.00 0.00 +0.216 C ATOM 3 N LIG 1 -2.443 2.145 0.623 0.00 0.00 -0.303 N ATOM 4 H LIG 1 -2.007 2.105 1.542 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -3.608 3.459 -0.828 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 -2.850 5.866 0.360 0.00 0.00 +0.017 C ATOM 7 C LIG 1 -2.236 4.558 0.854 0.00 0.00 +0.069 C ATOM 8 C LIG 1 -0.719 4.585 0.682 0.00 0.00 +0.017 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 9 ATOM 9 C LIG 1 -2.744 -0.181 1.231 0.00 0.00 +0.234 C ATOM 10 N LIG 1 -3.117 -1.474 0.934 0.00 0.00 -0.313 N ATOM 11 H LIG 1 -3.131 -1.747 -0.042 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -2.302 0.143 2.336 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 C LIG 1 -2.876 -2.547 1.882 0.00 0.00 +0.119 C BRANCH 13 14 ATOM 14 C LIG 1 -1.423 -3.049 1.852 0.00 0.00 +0.096 C BRANCH 14 15 ATOM 15 N LIG 1 -1.177 -4.132 2.806 0.00 0.00 -0.329 NA ATOM 16 H LIG 1 -1.319 -3.780 3.753 0.00 0.00 +0.118 HD ATOM 17 H LIG 1 -1.860 -4.875 2.672 0.00 0.00 +0.118 HD ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 18 ATOM 18 C LIG 1 -2.510 0.511 -1.266 0.00 0.00 +0.094 C BRANCH 18 19 ATOM 19 C LIG 1 -1.095 0.022 -1.276 0.00 0.00 +0.082 A ATOM 20 S LIG 1 0.210 1.105 -1.523 0.00 0.00 -0.072 S ATOM 21 C LIG 1 1.321 -0.201 -1.380 0.00 0.00 +0.039 A ATOM 22 C LIG 1 0.609 -1.381 -1.162 0.00 0.00 +0.078 A ATOM 23 C LIG 1 1.327 -2.583 -1.014 0.00 0.00 +0.029 A ATOM 24 C LIG 1 2.725 -2.575 -1.085 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.433 -1.388 -1.305 0.00 0.00 -0.044 A ATOM 26 C LIG 1 2.725 -0.182 -1.456 0.00 0.00 +0.021 A ATOM 27 N LIG 1 -0.770 -1.242 -1.111 0.00 0.00 -0.244 NA BRANCH 25 28 ATOM 28 C LIG 1 4.952 -1.373 -1.383 0.00 0.00 +0.013 C ATOM 29 C LIG 1 5.588 -1.827 -0.067 0.00 0.00 +0.012 C ATOM 30 C LIG 1 5.464 -2.214 -2.555 0.00 0.00 +0.012 C ENDBRANCH 25 28 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 9