REMARK Name = BDB062092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.618 3.225 -0.015 0.00 0.00 +0.166 A ATOM 2 N LIG 1 -1.272 2.051 0.179 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -0.524 0.913 0.086 0.00 0.00 +0.098 A ATOM 4 C LIG 1 0.851 0.962 -0.231 0.00 0.00 +0.097 A ATOM 5 N LIG 1 1.492 2.156 -0.405 0.00 0.00 -0.250 NA ATOM 6 C LIG 1 0.735 3.274 -0.292 0.00 0.00 +0.146 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.285 -0.319 0.370 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.504 -0.567 -0.288 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -3.241 -1.728 -0.038 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -2.771 -2.656 0.886 0.00 0.00 +0.018 A ATOM 11 BR LIG 1 -3.762 -4.229 1.226 0.00 0.00 -0.050 Br ATOM 12 C LIG 1 -1.578 -2.429 1.566 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -0.845 -1.264 1.314 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 4 14 ATOM 14 C LIG 1 1.718 -0.213 -0.430 0.00 0.00 +0.003 A ATOM 15 C LIG 1 1.372 -1.250 -1.316 0.00 0.00 +0.011 A ATOM 16 C LIG 1 2.205 -2.361 -1.490 0.00 0.00 +0.016 A ATOM 17 C LIG 1 3.404 -2.442 -0.788 0.00 0.00 +0.018 A ATOM 18 BR LIG 1 4.529 -3.942 -1.022 0.00 0.00 -0.050 Br ATOM 19 C LIG 1 3.781 -1.422 0.080 0.00 0.00 +0.016 A ATOM 20 C LIG 1 2.945 -0.315 0.252 0.00 0.00 +0.011 A ENDBRANCH 4 14 BRANCH 1 22 ATOM 21 O LIG 1 -0.896 5.612 -0.050 0.00 0.00 -0.243 OA ATOM 22 C LIG 1 -1.374 4.498 0.078 0.00 0.00 +0.357 C BRANCH 22 23 ATOM 23 OXT LIG 1 -2.687 4.325 0.323 0.00 0.00 -0.476 OA ATOM 24 HXT LIG 1 -3.063 5.227 0.366 0.00 0.00 +0.295 HD ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 4