REMARK Name = BDB024907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.312 -0.564 0.333 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.329 0.423 0.532 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.758 1.824 0.719 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.931 2.531 -0.632 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.838 2.582 1.671 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.419 2.582 1.152 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.977 1.196 0.776 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.591 0.923 0.690 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.461 1.766 0.932 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.563 1.071 0.728 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -1.251 -0.221 0.332 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.130 -0.333 0.330 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.013 -1.375 0.055 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.387 -1.100 0.132 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.902 0.160 0.480 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.134 -1.772 0.229 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.183 -1.286 -0.029 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.191 -2.447 0.988 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.718 -3.758 0.385 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.753 -3.514 -0.716 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.165 -2.714 -1.881 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.014 -1.790 -1.471 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.232 -4.695 1.462 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.658 -5.727 1.779 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.369 -4.296 2.069 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.741 -3.455 1.752 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.615 -0.989 0.069 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.573 -0.032 0.268 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.921 1.696 0.935 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -3.686 1.051 2.091 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -3.787 1.821 -0.322 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 N LIG 1 -3.089 2.298 -1.500 0.00 0.00 -0.269 N ATOM 33 N LIG 1 -3.054 1.519 -2.601 0.00 0.00 -0.178 NA ATOM 34 C LIG 1 -2.350 2.250 -3.473 0.00 0.00 +0.154 A ATOM 35 C LIG 1 -1.973 3.496 -2.942 0.00 0.00 +0.078 A ATOM 36 CL LIG 1 -1.088 4.702 -3.728 0.00 0.00 -0.080 Cl ATOM 37 C LIG 1 -2.482 3.508 -1.668 0.00 0.00 +0.128 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7