REMARK Name = BDB063473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.628 -0.339 -0.821 0.00 0.00 +0.204 A ATOM 2 N LIG 1 0.387 0.035 0.034 0.00 0.00 -0.187 NA ATOM 3 C LIG 1 1.472 -0.313 -0.624 0.00 0.00 +0.262 A ATOM 4 O LIG 1 1.189 -0.880 -1.836 0.00 0.00 -0.332 OA ATOM 5 N LIG 1 -0.197 -0.896 -1.963 0.00 0.00 -0.056 NA ENDROOT BRANCH 1 8 ATOM 6 C LIG 1 -3.768 0.629 1.002 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -2.415 0.450 0.717 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.029 -0.138 -0.492 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -3.045 -0.519 -1.364 0.00 0.00 +0.122 A ATOM 10 N LIG 1 -4.369 -0.357 -1.113 0.00 0.00 -0.263 NA ATOM 11 C LIG 1 -4.698 0.214 0.065 0.00 0.00 +0.111 A ENDBRANCH 1 8 BRANCH 3 12 ATOM 12 C LIG 1 2.906 -0.102 -0.085 0.00 0.00 +0.077 A ATOM 13 C LIG 1 4.059 -0.453 -0.744 0.00 0.00 +0.208 A ATOM 14 O LIG 1 5.144 -0.129 0.011 0.00 0.00 -0.470 OA ATOM 15 C LIG 1 4.674 0.432 1.158 0.00 0.00 +0.195 A ATOM 16 C LIG 1 3.298 0.471 1.147 0.00 0.00 +0.054 A ENDBRANCH 3 12 TORSDOF 2