REMARK Name = BDB025007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.566 -1.757 2.007 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.535 -2.110 1.116 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.593 -3.431 0.455 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.465 -3.377 -0.807 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.204 -4.003 0.189 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.406 -3.066 -0.687 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.438 -1.664 -0.149 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.429 -0.757 -0.549 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.373 -0.973 -1.396 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.295 0.162 -1.464 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.308 1.129 -0.678 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.413 0.545 -0.080 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.384 1.012 0.803 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.396 0.116 1.184 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.462 -1.211 0.728 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.656 -0.728 2.667 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.077 2.527 -0.492 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.480 2.715 0.106 0.00 0.00 +0.039 C ATOM 19 C LIG 1 1.759 4.185 0.475 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.095 5.185 -0.482 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.803 4.575 -1.849 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.156 3.386 -1.750 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 1.303 4.475 1.894 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.324 3.966 2.418 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.066 5.393 2.524 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 2.822 5.723 2.005 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.606 -2.429 2.982 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.531 -2.728 2.090 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.528 0.326 -2.301 0.00 0.00 +0.111 C BRANCH 29 30 ATOM 30 C LIG 1 2.832 -0.028 -1.625 0.00 0.00 -0.022 A ATOM 31 C LIG 1 2.918 -0.833 -0.491 0.00 0.00 +0.118 A ATOM 32 N LIG 1 4.078 -1.145 0.134 0.00 0.00 -0.221 NA ATOM 33 C LIG 1 5.215 -0.669 -0.416 0.00 0.00 +0.215 A ATOM 34 C LIG 1 5.247 0.114 -1.558 0.00 0.00 +0.067 A ATOM 35 C LIG 1 4.038 0.435 -2.169 0.00 0.00 +0.011 A BRANCH 33 36 ATOM 36 O LIG 1 6.440 -0.956 0.165 0.00 0.00 -0.473 OA BRANCH 36 37 ATOM 37 C LIG 1 6.346 -1.673 1.414 0.00 0.00 +0.175 C ATOM 38 C LIG 1 6.477 -3.171 1.344 0.00 0.00 +0.048 C ATOM 39 C LIG 1 7.620 -2.343 1.856 0.00 0.00 +0.048 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8