REMARK Name = BDB047503 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.367 0.493 -0.022 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -3.146 -0.401 -0.117 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.974 0.343 0.075 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -0.713 -0.237 -0.007 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.623 -1.602 -0.278 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -1.797 -2.347 -0.477 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -2.285 1.785 0.318 0.00 0.00 +0.036 C ATOM 8 C LIG 1 -3.062 -1.752 -0.407 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -3.751 1.689 0.750 0.00 0.00 +0.013 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -5.596 -0.112 0.688 0.00 0.00 +0.105 C BRANCH 10 12 ATOM 11 C LIG 1 -7.220 1.800 0.059 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -6.644 0.917 1.160 0.00 0.00 +0.012 C ENDBRANCH 10 12 BRANCH 10 13 ATOM 13 C LIG 1 -6.293 -1.122 -0.199 0.00 0.00 +0.308 C ATOM 14 O LIG 1 -6.365 -1.112 -1.416 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -6.900 -2.096 0.509 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 -7.321 -2.661 -0.173 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 5 17 ATOM 17 O LIG 1 0.529 -2.332 -0.392 0.00 0.00 -0.492 OA BRANCH 17 18 ATOM 18 C LIG 1 1.782 -1.675 -0.187 0.00 0.00 +0.235 C BRANCH 18 19 ATOM 19 C LIG 1 2.283 -1.046 -1.487 0.00 0.00 +0.099 C BRANCH 19 20 ATOM 20 C LIG 1 3.519 -0.249 -1.293 0.00 0.00 +0.083 A ATOM 21 N LIG 1 4.633 -0.786 -0.690 0.00 0.00 -0.214 NA ATOM 22 C LIG 1 5.515 0.198 -0.698 0.00 0.00 +0.227 A ATOM 23 O LIG 1 5.049 1.355 -1.269 0.00 0.00 -0.443 OA ATOM 24 C LIG 1 3.776 1.055 -1.646 0.00 0.00 +0.221 A BRANCH 22 25 ATOM 25 C LIG 1 6.885 0.215 -0.190 0.00 0.00 +0.037 A ATOM 26 C LIG 1 7.417 -0.940 0.404 0.00 0.00 +0.013 A ATOM 27 C LIG 1 8.723 -0.954 0.900 0.00 0.00 +0.001 A ATOM 28 C LIG 1 9.515 0.189 0.808 0.00 0.00 +0.000 A ATOM 29 C LIG 1 9.003 1.344 0.221 0.00 0.00 +0.001 A ATOM 30 C LIG 1 7.696 1.357 -0.275 0.00 0.00 +0.013 A ENDBRANCH 22 25 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 9