REMARK Name = BDB024873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.544 1.524 0.827 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.881 0.400 0.302 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.605 -0.368 -0.733 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.790 -1.144 -0.135 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.741 -1.363 -1.524 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.367 -0.786 -1.789 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.732 -0.512 -0.457 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.375 -0.797 -0.201 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.429 -1.341 -1.034 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.685 -1.409 -0.335 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.491 -0.919 0.941 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.827 -0.524 1.045 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.575 0.032 2.084 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.919 0.322 1.818 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.506 0.081 0.567 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.723 1.783 0.597 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 5.406 3.530 2.047 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.754 2.356 1.564 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.456 -0.868 2.026 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -1.999 0.530 2.246 0.00 0.00 +0.238 C ATOM 21 N LIG 1 -3.205 0.760 1.605 0.00 0.00 -0.269 N ATOM 22 H LIG 1 -3.656 0.024 1.058 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 -1.392 1.338 2.946 0.00 0.00 -0.273 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.865 1.972 1.664 0.00 0.00 +0.120 A ATOM 25 N LIG 1 -5.061 2.148 1.017 0.00 0.00 -0.264 N ATOM 26 H LIG 1 -5.565 1.462 0.465 0.00 0.00 +0.190 HD ATOM 27 N LIG 1 -5.585 3.378 1.166 0.00 0.00 -0.181 NA ATOM 28 C LIG 1 -4.686 4.003 1.931 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -3.596 3.176 2.270 0.00 0.00 +0.064 A ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -1.969 -1.933 -0.884 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -2.629 -0.898 -1.799 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -3.987 -1.296 -2.175 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -5.018 -1.090 -1.260 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -4.862 -0.595 -0.142 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -6.376 -1.518 -1.691 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -6.547 -2.096 -2.887 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -5.425 -2.307 -3.766 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -4.201 -1.911 -3.397 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7