REMARK Name = BDB019478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.928 -0.071 1.919 0.00 0.00 -0.222 N ATOM 2 C LIG 1 1.377 0.842 1.042 0.00 0.00 +0.073 A ATOM 3 C LIG 1 -0.014 0.792 1.244 0.00 0.00 +0.017 A ATOM 4 C LIG 1 -0.817 1.661 0.466 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -0.235 2.527 -0.478 0.00 0.00 +0.022 A ATOM 6 C LIG 1 1.147 2.561 -0.678 0.00 0.00 -0.014 A ATOM 7 C LIG 1 -0.268 -0.227 2.232 0.00 0.00 -0.023 A ATOM 8 C LIG 1 -1.586 -0.674 2.763 0.00 0.00 +0.046 C ATOM 9 C LIG 1 1.959 1.708 0.091 0.00 0.00 +0.036 A ATOM 10 C LIG 1 0.956 -0.743 2.606 0.00 0.00 +0.116 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.748 3.478 -1.659 0.00 0.00 +0.000 A ATOM 12 C LIG 1 1.303 3.543 -2.981 0.00 0.00 +0.120 A ATOM 13 N LIG 1 1.813 4.363 -3.933 0.00 0.00 -0.244 NA ATOM 14 C LIG 1 2.831 5.174 -3.558 0.00 0.00 +0.140 A ATOM 15 C LIG 1 3.354 5.193 -2.273 0.00 0.00 +0.039 A ATOM 16 C LIG 1 2.804 4.335 -1.319 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 C LIG 1 3.361 6.037 -4.579 0.00 0.00 +0.119 C ATOM 18 N LIG 1 3.819 6.749 -5.375 0.00 0.00 -0.189 NA ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 4 19 ATOM 19 C LIG 1 -2.284 1.694 0.629 0.00 0.00 +0.245 C ATOM 20 N LIG 1 -2.993 1.440 -0.522 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -2.508 1.081 -1.337 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -2.788 1.927 1.719 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.429 1.265 -0.512 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 -4.753 -0.182 -0.281 0.00 0.00 +0.037 A ATOM 25 C LIG 1 -4.438 -1.081 -1.441 0.00 0.00 +0.254 A ATOM 26 O LIG 1 -3.901 -0.660 -2.463 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 -4.761 -2.406 -1.301 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -4.544 -2.994 -2.096 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -5.322 -2.953 -0.174 0.00 0.00 +0.016 A ATOM 30 C LIG 1 -5.595 -4.425 -0.192 0.00 0.00 +0.063 C ATOM 31 C LIG 1 -5.588 -2.158 0.872 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -5.304 -0.729 0.826 0.00 0.00 -0.039 A ATOM 33 C LIG 1 -5.664 0.014 2.083 0.00 0.00 +0.044 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 4 19 BRANCH 1 34 ATOM 34 S LIG 1 3.577 -0.508 1.985 0.00 0.00 +0.061 S ATOM 35 O LIG 1 3.727 -1.265 3.214 0.00 0.00 -0.152 OA ATOM 36 O LIG 1 4.306 0.730 1.778 0.00 0.00 -0.152 OA BRANCH 34 37 ATOM 37 C LIG 1 4.024 -1.634 0.629 0.00 0.00 +0.112 C ATOM 38 C LIG 1 2.985 -1.917 -0.429 0.00 0.00 +0.034 C ATOM 39 C LIG 1 3.256 -2.938 0.646 0.00 0.00 +0.034 C BRANCH 37 40 ATOM 40 C LIG 1 5.502 -1.581 0.370 0.00 0.00 +0.058 C BRANCH 40 42 ATOM 41 C LIG 1 6.879 -3.548 -0.384 0.00 0.00 +0.004 C ATOM 42 C LIG 1 6.053 -2.531 -0.663 0.00 0.00 -0.032 C ENDBRANCH 40 42 ENDBRANCH 37 40 ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 9