REMARK Name = BDB060111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.832 0.003 -1.185 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.227 0.406 -0.877 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -2.224 1.235 -0.267 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -4.340 0.011 0.282 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.233 -0.476 -0.458 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.280 -1.819 -0.853 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -4.329 -2.663 -0.466 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -5.374 -2.179 0.312 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.383 -0.840 0.688 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -3.357 1.969 1.129 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -4.383 1.438 0.702 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -5.634 2.234 0.605 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.578 2.000 -0.402 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -7.737 2.776 -0.464 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.950 3.791 0.469 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.002 4.040 1.461 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.842 3.267 1.527 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.708 -0.656 -2.562 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -0.421 -1.819 -2.807 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -0.961 0.198 -3.580 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -0.893 -0.357 -4.383 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.197 -0.829 -0.055 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 1.312 -0.711 -0.018 0.00 0.00 -0.045 A ATOM 24 C LIG 1 2.119 -1.657 -0.660 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.511 -1.532 -0.636 0.00 0.00 +0.030 A ATOM 26 C LIG 1 4.121 -0.466 0.036 0.00 0.00 +0.086 A ATOM 27 C LIG 1 3.312 0.485 0.665 0.00 0.00 +0.030 A ATOM 28 C LIG 1 1.920 0.365 0.643 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 N LIG 1 5.518 -0.298 0.050 0.00 0.00 -0.149 NA ATOM 30 N LIG 1 6.073 -1.264 0.619 0.00 0.00 -0.149 NA BRANCH 30 31 ATOM 31 C LIG 1 7.467 -1.088 0.644 0.00 0.00 +0.086 A ATOM 32 C LIG 1 8.125 -1.002 1.877 0.00 0.00 +0.031 A ATOM 33 C LIG 1 9.514 -0.855 1.935 0.00 0.00 +0.022 A ATOM 34 C LIG 1 10.253 -0.803 0.755 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 11.962 -0.623 0.824 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 9.616 -0.899 -0.481 0.00 0.00 +0.022 A ATOM 37 C LIG 1 8.227 -1.046 -0.534 0.00 0.00 +0.031 A ENDBRANCH 30 31 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10