REMARK Name = BDB065292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.610 -0.006 -0.549 0.00 0.00 +0.015 A ATOM 2 C LIG 1 -4.616 0.752 -1.178 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -3.275 0.643 -0.776 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.938 -0.240 0.279 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -1.599 -0.348 0.682 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -0.615 0.396 0.034 0.00 0.00 +0.133 A ATOM 7 C LIG 1 -0.935 1.281 -0.990 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -3.949 -0.988 0.904 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -2.264 1.396 -1.399 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -5.278 -0.873 0.493 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -7.855 -0.856 -1.004 0.00 0.00 -0.285 NA ATOM 12 H LIG 1 -7.393 -1.730 -0.737 0.00 0.00 +0.188 HD ATOM 13 C LIG 1 -7.024 0.137 -0.987 0.00 0.00 +0.116 C BRANCH 13 14 ATOM 14 N LIG 1 -7.499 1.351 -1.383 0.00 0.00 -0.343 N ATOM 15 H LIG 1 -7.152 2.149 -0.865 0.00 0.00 +0.144 HD ATOM 16 H LIG 1 -8.514 1.337 -1.439 0.00 0.00 +0.144 HD ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 O LIG 1 0.695 0.284 0.512 0.00 0.00 -0.422 OA BRANCH 17 18 ATOM 18 C LIG 1 1.605 -0.265 -0.372 0.00 0.00 +0.351 C ATOM 19 O LIG 1 1.407 -0.569 -1.542 0.00 0.00 -0.244 OA BRANCH 18 20 ATOM 20 C LIG 1 2.929 -0.367 0.278 0.00 0.00 +0.144 A ATOM 21 C LIG 1 3.071 -0.693 1.712 0.00 0.00 +0.351 A ATOM 22 O LIG 1 2.116 -0.981 2.424 0.00 0.00 -0.244 OA ATOM 23 O LIG 1 4.365 -0.684 2.229 0.00 0.00 -0.422 OA ATOM 24 C LIG 1 5.489 -0.466 1.413 0.00 0.00 +0.139 A ATOM 25 C LIG 1 5.340 -0.216 0.052 0.00 0.00 +0.019 A ATOM 26 C LIG 1 6.481 -0.013 -0.728 0.00 0.00 +0.026 A ATOM 27 C LIG 1 7.744 -0.065 -0.131 0.00 0.00 +0.019 A ATOM 28 C LIG 1 7.880 -0.317 1.236 0.00 0.00 +0.019 A ATOM 29 BR LIG 1 9.288 0.210 -1.188 0.00 0.00 -0.050 Br ATOM 30 C LIG 1 6.743 -0.519 2.017 0.00 0.00 +0.048 A ATOM 31 C LIG 1 4.000 -0.161 -0.507 0.00 0.00 +0.033 A ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 6 17 TORSDOF 5