REMARK Name = BDB055483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.524 0.073 -0.017 0.00 0.00 +0.003 A ATOM 2 C LIG 1 1.341 0.785 0.888 0.00 0.00 +0.037 A ATOM 3 C LIG 1 2.724 0.819 0.664 0.00 0.00 +0.068 A ATOM 4 C LIG 1 3.334 0.186 -0.409 0.00 0.00 +0.041 A ATOM 5 C LIG 1 4.717 0.469 -0.252 0.00 0.00 +0.146 A ATOM 6 N LIG 1 4.963 1.207 0.827 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 2.531 -0.513 -1.325 0.00 0.00 +0.014 A ATOM 8 N LIG 1 3.744 1.418 1.352 0.00 0.00 -0.275 N ATOM 9 H LIG 1 3.675 1.983 2.190 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.141 -0.557 -1.116 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.056 -0.964 0.075 0.00 0.00 +0.219 A ATOM 12 N LIG 1 -3.627 0.085 0.684 0.00 0.00 -0.180 NA ATOM 13 C LIG 1 -2.807 1.078 1.017 0.00 0.00 +0.216 A ATOM 14 N LIG 1 -1.487 1.081 0.822 0.00 0.00 -0.214 NA ATOM 15 C LIG 1 -0.941 0.013 0.196 0.00 0.00 +0.080 A ATOM 16 C LIG 1 -1.713 -1.059 -0.196 0.00 0.00 +0.095 A BRANCH 13 17 ATOM 17 N LIG 1 -3.356 2.169 1.658 0.00 0.00 -0.327 N ATOM 18 H LIG 1 -2.651 2.640 2.206 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -4.213 1.906 2.122 0.00 0.00 +0.145 HD ENDBRANCH 13 17 BRANCH 11 21 ATOM 20 C LIG 1 -5.216 -1.864 -0.046 0.00 0.00 +0.279 C ATOM 21 O LIG 1 -3.828 -2.044 -0.311 0.00 0.00 -0.480 OA ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 5 22 ATOM 22 N LIG 1 5.685 0.037 -1.075 0.00 0.00 -0.341 N ATOM 23 H LIG 1 6.629 0.117 -0.712 0.00 0.00 +0.144 HD ATOM 24 H LIG 1 5.537 -0.802 -1.620 0.00 0.00 +0.144 HD ENDBRANCH 5 22 TORSDOF 4