REMARK Name = BDB017461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.315 1.420 2.138 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.951 2.676 1.617 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.668 2.835 1.079 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.722 1.819 1.050 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.430 2.398 0.426 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.191 3.672 0.067 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.076 0.565 1.580 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.057 3.908 0.495 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.446 4.832 0.346 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.359 0.391 2.121 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.726 -1.461 -1.250 0.00 0.00 -0.047 A ATOM 12 C LIG 1 4.778 -0.429 -0.294 0.00 0.00 +0.010 A ATOM 13 C LIG 1 5.429 -0.651 0.910 0.00 0.00 -0.010 A ATOM 14 C LIG 1 5.668 0.200 2.126 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.687 1.185 2.729 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.492 -0.683 3.035 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.657 -1.894 2.386 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.178 -2.659 2.784 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.919 -0.364 4.132 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.934 1.674 2.018 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.042 -1.894 1.133 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.024 -2.925 0.218 0.00 0.00 +0.024 A ATOM 23 C LIG 1 5.355 -2.698 -0.986 0.00 0.00 +0.005 A BRANCH 11 25 ATOM 24 C LIG 1 4.951 -0.634 -3.608 0.00 0.00 +0.009 C ATOM 25 C LIG 1 4.021 -1.234 -2.565 0.00 0.00 +0.032 C ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.726 1.776 0.154 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.388 2.022 -1.051 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.627 1.423 -1.323 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -4.259 0.570 -0.406 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -3.580 0.346 0.803 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -2.340 0.938 1.085 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -5.479 -0.027 -0.676 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -6.033 -0.084 -2.039 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -7.061 -1.234 -2.154 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -8.223 -1.103 -1.248 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 -8.798 -2.414 -0.959 0.00 0.00 +0.105 C ATOM 37 C LIG 1 -7.861 -0.377 -0.013 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -6.375 -0.461 0.411 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4