REMARK Name = BDB024121 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.066 -0.904 1.232 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.145 -2.099 2.171 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.790 -3.399 1.771 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.854 -4.466 2.671 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.262 -4.247 3.986 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.602 -2.963 4.404 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.541 -1.896 3.505 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.287 -0.692 0.630 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.016 -1.493 0.075 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.715 -0.158 1.423 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.626 0.781 2.209 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.197 0.713 0.169 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.235 1.361 0.939 0.00 0.00 +0.123 A ATOM 14 N LIG 1 1.964 0.923 1.126 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 1.589 -0.207 0.509 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.465 -0.923 -0.298 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.775 -0.464 -0.461 0.00 0.00 +0.015 A BRANCH 12 22 ATOM 18 C LIG 1 9.309 3.156 -0.420 0.00 0.00 +0.067 C ATOM 19 C LIG 1 8.001 2.447 -0.268 0.00 0.00 +0.061 A ATOM 20 N LIG 1 6.884 3.199 -0.201 0.00 0.00 -0.154 NA ATOM 21 N LIG 1 5.656 2.599 -0.052 0.00 0.00 -0.149 NA ATOM 22 C LIG 1 5.553 1.252 0.026 0.00 0.00 +0.095 A ATOM 23 C LIG 1 6.693 0.459 -0.030 0.00 0.00 +0.032 A ATOM 24 C LIG 1 7.938 1.067 -0.177 0.00 0.00 +0.027 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.225 -1.254 -0.213 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -1.963 -0.423 -0.753 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.622 -1.578 -0.569 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.612 -0.382 -0.590 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -6.020 -0.866 -0.965 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -4.138 0.742 -1.503 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -3.638 1.927 -0.940 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.167 2.962 -1.753 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.193 2.828 -3.143 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -3.688 1.652 -3.715 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.152 0.615 -2.901 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -2.713 3.886 -3.983 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -2.324 4.733 -4.676 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9