REMARK Name = BDB057880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.907 0.441 0.458 0.00 0.00 -0.245 N ATOM 2 N LIG 1 -0.480 0.008 1.656 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 0.815 -0.260 1.543 0.00 0.00 -0.128 NA ATOM 4 C LIG 1 1.206 0.053 0.266 0.00 0.00 +0.131 A ATOM 5 C LIG 1 0.118 0.524 -0.436 0.00 0.00 +0.140 A ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 -6.039 -1.076 0.744 0.00 0.00 +0.109 C ATOM 7 C LIG 1 -5.196 -0.708 -0.447 0.00 0.00 +0.213 C ATOM 8 N LIG 1 -4.100 0.066 -0.169 0.00 0.00 -0.298 N ATOM 9 C LIG 1 -3.337 0.196 1.067 0.00 0.00 +0.136 C ATOM 10 C LIG 1 -2.274 0.904 0.206 0.00 0.00 +0.143 C ATOM 11 C LIG 1 -2.926 0.236 -1.016 0.00 0.00 +0.136 C ATOM 12 O LIG 1 -5.470 -1.089 -1.582 0.00 0.00 -0.276 OA ENDBRANCH 1 10 BRANCH 4 13 ATOM 13 C LIG 1 2.559 -0.085 -0.239 0.00 0.00 +0.093 A ATOM 14 N LIG 1 2.779 0.333 -1.515 0.00 0.00 -0.253 NA ATOM 15 C LIG 1 4.025 0.203 -2.017 0.00 0.00 +0.112 A ATOM 16 C LIG 1 5.089 -0.306 -1.298 0.00 0.00 +0.035 A ATOM 17 C LIG 1 4.845 -0.705 0.015 0.00 0.00 +0.062 A ATOM 18 C LIG 1 3.564 -0.613 0.556 0.00 0.00 +0.045 A BRANCH 17 19 ATOM 19 C LIG 1 5.921 -1.276 0.848 0.00 0.00 +0.337 C ATOM 20 O LIG 1 5.766 -2.257 1.550 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 7.073 -0.578 0.770 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 7.006 0.284 0.318 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 4 13 TORSDOF 4