REMARK Name = BDB052382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.466 -1.236 1.365 0.00 0.00 -0.024 A ATOM 2 C LIG 1 -0.133 -0.478 0.227 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.146 -0.519 -0.339 0.00 0.00 +0.121 A ATOM 4 C LIG 1 2.119 -1.326 0.243 0.00 0.00 +0.045 A ATOM 5 C LIG 1 1.810 -2.088 1.371 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.529 -2.047 1.927 0.00 0.00 +0.006 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.885 -1.157 1.913 0.00 0.00 +0.107 C ATOM 8 C LIG 1 -2.053 -1.565 3.383 0.00 0.00 +0.033 C BRANCH 7 10 ATOM 9 C LIG 1 -3.751 -1.255 0.226 0.00 0.00 +0.409 C ATOM 10 N LIG 1 -2.824 -1.886 1.040 0.00 0.00 -0.250 N ATOM 11 O LIG 1 -4.596 -1.907 -0.387 0.00 0.00 -0.226 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.639 0.126 0.220 0.00 0.00 -0.411 OA BRANCH 12 16 ATOM 13 C LIG 1 -8.024 2.303 -0.295 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -6.718 1.834 -0.865 0.00 0.00 -0.047 A ATOM 15 C LIG 1 -5.791 1.168 -0.056 0.00 0.00 +0.049 A ATOM 16 C LIG 1 -4.575 0.757 -0.601 0.00 0.00 +0.133 A ATOM 17 C LIG 1 -4.239 1.032 -1.925 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -5.155 1.708 -2.727 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -6.386 2.110 -2.200 0.00 0.00 +0.003 A ENDBRANCH 12 16 ENDBRANCH 9 12 BRANCH 10 20 ATOM 20 C LIG 1 -2.764 -3.351 0.992 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 -3.857 -4.021 1.819 0.00 0.00 +0.322 C ATOM 22 O LIG 1 -3.627 -4.777 2.753 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 O LIG 1 -5.117 -3.745 1.410 0.00 0.00 -0.480 OA ATOM 24 H LIG 1 -5.148 -3.161 0.612 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 10 20 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 3 25 ATOM 25 O LIG 1 1.304 0.282 -1.436 0.00 0.00 -0.486 OA BRANCH 25 26 ATOM 26 C LIG 1 2.542 0.206 -2.157 0.00 0.00 +0.287 C BRANCH 26 27 ATOM 27 C LIG 1 3.631 1.018 -1.551 0.00 0.00 +0.117 A ATOM 28 N LIG 1 4.921 0.536 -1.449 0.00 0.00 -0.211 NA ATOM 29 C LIG 1 5.587 1.516 -0.865 0.00 0.00 +0.227 A ATOM 30 O LIG 1 4.821 2.616 -0.578 0.00 0.00 -0.443 OA ATOM 31 C LIG 1 3.577 2.285 -1.019 0.00 0.00 +0.224 A BRANCH 29 32 ATOM 32 C LIG 1 6.999 1.579 -0.495 0.00 0.00 +0.037 A ATOM 33 C LIG 1 7.553 2.703 0.137 0.00 0.00 +0.014 A ATOM 34 C LIG 1 8.909 2.735 0.480 0.00 0.00 +0.021 A ATOM 35 C LIG 1 9.723 1.641 0.194 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 11.389 1.681 0.617 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 9.193 0.516 -0.432 0.00 0.00 +0.021 A ATOM 38 C LIG 1 7.837 0.487 -0.774 0.00 0.00 +0.014 A ENDBRANCH 29 32 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 11