REMARK Name = BDB039472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.855 0.060 0.242 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.299 0.089 1.513 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.841 0.336 2.572 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.873 -0.219 1.358 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.601 -0.338 0.001 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.316 -0.626 -0.430 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.280 -0.798 0.517 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.605 -0.676 1.895 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.904 -0.380 2.326 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.840 -0.098 -0.792 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.095 -1.107 0.061 0.00 0.00 +0.072 A ATOM 12 N LIG 1 -1.175 -1.813 -1.095 0.00 0.00 -0.242 NA ATOM 13 C LIG 1 -2.421 -2.090 -1.510 0.00 0.00 +0.131 A ATOM 14 C LIG 1 -2.764 -2.848 -2.729 0.00 0.00 +0.263 C ATOM 15 N LIG 1 -4.144 -2.924 -2.764 0.00 0.00 -0.306 N ATOM 16 H LIG 1 -4.625 -3.354 -3.543 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 -4.769 -2.211 -1.674 0.00 0.00 +0.142 C ATOM 18 O LIG 1 -2.007 -3.318 -3.557 0.00 0.00 -0.269 OA ATOM 19 C LIG 1 -3.602 -1.728 -0.886 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -3.533 -1.001 0.290 0.00 0.00 -0.024 A ATOM 21 C LIG 1 -2.244 -0.690 0.763 0.00 0.00 +0.033 A BRANCH 20 22 ATOM 22 C LIG 1 -4.766 -0.575 1.047 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 -5.701 0.187 0.217 0.00 0.00 -0.298 NA ATOM 24 C LIG 1 -5.202 1.519 -0.142 0.00 0.00 +0.085 C ATOM 25 C LIG 1 -6.455 2.238 -0.622 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -7.614 1.518 0.058 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -6.965 0.442 0.913 0.00 0.00 +0.085 C ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 7 11 BRANCH 1 34 ATOM 28 O LIG 1 9.774 2.528 0.458 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 8.712 1.919 0.367 0.00 0.00 +0.219 C ATOM 30 N LIG 1 7.526 2.589 0.199 0.00 0.00 -0.255 N ATOM 31 H LIG 1 7.584 3.598 0.190 0.00 0.00 +0.158 HD ATOM 32 C LIG 1 6.280 2.058 -0.045 0.00 0.00 +0.240 C ATOM 33 O LIG 1 5.334 2.796 -0.318 0.00 0.00 -0.273 OA ATOM 34 C LIG 1 6.199 0.523 -0.080 0.00 0.00 +0.163 C ATOM 35 C LIG 1 7.288 -0.092 0.799 0.00 0.00 +0.041 C ATOM 36 C LIG 1 8.648 0.410 0.341 0.00 0.00 +0.098 C ENDBRANCH 1 34 TORSDOF 4