REMARK Name = BDB000192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.268 -1.001 0.296 0.00 0.00 +0.165 A ATOM 2 S LIG 1 -1.966 0.132 1.523 0.00 0.00 -0.056 S ATOM 3 C LIG 1 -0.496 0.583 0.754 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -0.328 -0.178 -0.395 0.00 0.00 +0.080 A ATOM 5 N LIG 1 -1.357 -1.083 -0.641 0.00 0.00 -0.227 NA ENDROOT BRANCH 1 7 ATOM 6 C LIG 1 -4.448 -1.787 1.140 0.00 0.00 +0.235 C ATOM 7 N LIG 1 -3.378 -1.796 0.276 0.00 0.00 -0.263 N ATOM 8 H LIG 1 -3.449 -2.422 -0.521 0.00 0.00 +0.157 HD ATOM 9 O LIG 1 -4.613 -1.068 2.121 0.00 0.00 -0.274 OA BRANCH 6 11 ATOM 10 C LIG 1 -5.127 -4.171 1.506 0.00 0.00 +0.033 C ATOM 11 C LIG 1 -5.479 -2.878 0.781 0.00 0.00 +0.135 C BRANCH 11 12 ATOM 12 N LIG 1 -5.485 -3.117 -0.682 0.00 0.00 -0.320 NA ATOM 13 H LIG 1 -5.869 -2.288 -1.141 0.00 0.00 +0.119 HD ATOM 14 H LIG 1 -6.148 -3.868 -0.887 0.00 0.00 +0.119 HD ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 1 7 BRANCH 3 15 ATOM 15 C LIG 1 0.379 1.638 1.366 0.00 0.00 +0.079 C BRANCH 15 16 ATOM 16 C LIG 1 0.578 2.855 0.489 0.00 0.00 -0.042 A ATOM 17 C LIG 1 1.866 3.227 0.075 0.00 0.00 +0.004 A ATOM 18 C LIG 1 2.055 4.352 -0.729 0.00 0.00 +0.000 A ATOM 19 C LIG 1 0.961 5.121 -1.120 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -0.322 4.769 -0.707 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -0.513 3.644 0.097 0.00 0.00 +0.004 A ENDBRANCH 15 16 ENDBRANCH 3 15 BRANCH 4 22 ATOM 22 C LIG 1 0.817 -0.121 -1.365 0.00 0.00 +0.216 C BRANCH 22 23 ATOM 23 O LIG 1 1.483 -1.376 -1.576 0.00 0.00 -0.369 OA BRANCH 23 24 ATOM 24 C LIG 1 2.139 -1.894 -0.419 0.00 0.00 +0.195 C BRANCH 24 25 ATOM 25 C LIG 1 3.339 -1.077 0.000 0.00 0.00 -0.022 A ATOM 26 C LIG 1 4.261 -0.618 -0.951 0.00 0.00 +0.006 A ATOM 27 C LIG 1 5.370 0.132 -0.559 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.576 0.420 0.789 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.677 -0.047 1.746 0.00 0.00 +0.000 A ATOM 30 C LIG 1 3.566 -0.797 1.355 0.00 0.00 +0.006 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 9