REMARK Name = BDB055201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.502 -1.067 0.161 0.00 0.00 +0.209 A ATOM 2 C LIG 1 2.570 -0.088 1.157 0.00 0.00 +0.185 A ATOM 3 C LIG 1 1.454 0.157 1.964 0.00 0.00 +0.087 A ATOM 4 CL LIG 1 1.508 1.308 3.249 0.00 0.00 -0.080 Cl ATOM 5 C LIG 1 0.260 -0.534 1.739 0.00 0.00 +0.032 A ATOM 6 C LIG 1 0.177 -1.478 0.708 0.00 0.00 -0.019 A ATOM 7 C LIG 1 1.304 -1.748 -0.075 0.00 0.00 +0.061 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -1.070 -2.201 0.449 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -2.177 -1.651 -0.068 0.00 0.00 +0.062 C ATOM 10 C LIG 1 -3.436 -2.360 -0.339 0.00 0.00 +0.069 C ATOM 11 C LIG 1 -3.655 -3.811 -0.062 0.00 0.00 +0.068 C ATOM 12 N LIG 1 -4.347 -1.578 -0.848 0.00 0.00 -0.177 NA ATOM 13 N LIG 1 -3.765 -0.313 -0.953 0.00 0.00 -0.156 N ATOM 14 C LIG 1 -2.434 -0.254 -0.504 0.00 0.00 +0.272 C ATOM 15 O LIG 1 -1.637 0.665 -0.455 0.00 0.00 -0.268 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.547 0.744 -1.486 0.00 0.00 +0.060 A ATOM 17 C LIG 1 -4.041 2.043 -1.628 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -4.832 3.070 -2.156 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -6.142 2.815 -2.552 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.663 1.532 -2.419 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.872 0.507 -1.891 0.00 0.00 +0.025 A ENDBRANCH 13 16 ENDBRANCH 6 8 BRANCH 1 22 ATOM 22 O LIG 1 3.626 -1.296 -0.599 0.00 0.00 -0.332 OA BRANCH 22 24 ATOM 23 C LIG 1 4.929 -3.144 -0.232 0.00 0.00 +0.253 C ATOM 24 O LIG 1 3.712 -2.734 -0.842 0.00 0.00 -0.190 OA ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 2 25 ATOM 25 O LIG 1 3.754 0.568 1.390 0.00 0.00 -0.476 OA BRANCH 25 26 ATOM 26 C LIG 1 3.851 1.723 0.553 0.00 0.00 +0.349 C BRANCH 26 27 ATOM 27 C LIG 1 5.055 2.570 0.928 0.00 0.00 +0.345 C ATOM 28 O LIG 1 5.776 3.131 0.110 0.00 0.00 -0.247 OA BRANCH 27 29 ATOM 29 O LIG 1 5.190 2.671 2.280 0.00 0.00 -0.466 OA ATOM 30 C LIG 1 6.290 3.477 2.701 0.00 0.00 +0.280 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 8