REMARK Name = BDB000657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.318 1.480 0.342 0.00 0.00 -0.289 OA ATOM 2 C LIG 1 0.603 0.291 0.422 0.00 0.00 +0.201 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.997 -0.240 0.731 0.00 0.00 +0.063 C ATOM 4 C LIG 1 2.657 -0.723 -0.571 0.00 0.00 +0.011 C ATOM 5 C LIG 1 4.176 -0.619 -0.516 0.00 0.00 +0.001 C ATOM 6 C LIG 1 4.643 0.820 -0.305 0.00 0.00 +0.000 C ATOM 7 C LIG 1 3.671 1.663 0.519 0.00 0.00 +0.001 C ATOM 8 C LIG 1 2.842 0.812 1.475 0.00 0.00 +0.011 C ENDBRANCH 2 3 BRANCH 2 9 ATOM 9 C LIG 1 -0.488 -0.751 0.171 0.00 0.00 +0.201 C ATOM 10 O LIG 1 -0.194 -1.940 0.199 0.00 0.00 -0.289 OA BRANCH 9 11 ATOM 11 C LIG 1 -1.891 -0.221 -0.086 0.00 0.00 +0.063 C ATOM 12 C LIG 1 -2.781 -1.308 -0.699 0.00 0.00 +0.011 C ATOM 13 C LIG 1 -4.179 -0.782 -1.029 0.00 0.00 +0.001 C ATOM 14 C LIG 1 -4.684 0.271 -0.041 0.00 0.00 +0.000 C ATOM 15 C LIG 1 -4.011 0.145 1.318 0.00 0.00 +0.001 C ATOM 16 C LIG 1 -2.496 0.336 1.214 0.00 0.00 +0.011 C ENDBRANCH 9 11 ENDBRANCH 2 9 TORSDOF 3