REMARK Name = BDB036431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.265 -2.294 0.110 0.00 0.00 -0.282 N ATOM 2 C LIG 1 2.836 -3.032 1.133 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.338 -4.138 1.082 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.748 -2.211 2.346 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.203 -0.975 2.002 0.00 0.00 -0.013 A ATOM 6 C LIG 1 2.027 0.012 2.967 0.00 0.00 -0.025 A ATOM 7 C LIG 1 2.400 -0.303 4.287 0.00 0.00 +0.005 A ATOM 8 C LIG 1 2.948 -1.558 4.616 0.00 0.00 +0.001 A ATOM 9 C LIG 1 3.132 -2.531 3.634 0.00 0.00 +0.013 A ATOM 10 C LIG 1 1.915 -0.946 0.535 0.00 0.00 +0.145 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 3.748 -4.543 -4.695 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 3.339 -4.028 -3.658 0.00 0.00 +0.219 C ATOM 13 N LIG 1 4.096 -3.106 -2.980 0.00 0.00 -0.255 N ATOM 14 H LIG 1 5.009 -2.912 -3.366 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 3.747 -2.376 -1.866 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.502 -1.505 -1.435 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 2.341 -2.641 -1.304 0.00 0.00 +0.163 C ATOM 18 C LIG 1 1.903 -4.073 -1.609 0.00 0.00 +0.041 C ATOM 19 C LIG 1 1.958 -4.306 -3.111 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 C LIG 1 1.441 1.353 2.626 0.00 0.00 +0.140 C BRANCH 20 21 ATOM 21 N LIG 1 0.000 1.269 2.554 0.00 0.00 -0.307 N ATOM 22 H LIG 1 -0.501 1.155 3.423 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -0.691 1.474 1.381 0.00 0.00 +0.246 C ATOM 24 O LIG 1 -0.146 1.745 0.315 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -2.177 1.378 1.458 0.00 0.00 +0.058 A ATOM 26 C LIG 1 -2.983 2.184 0.622 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -4.378 2.113 0.786 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.959 1.213 1.682 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -4.155 0.373 2.447 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.767 0.455 2.340 0.00 0.00 +0.015 A BRANCH 26 31 ATOM 31 N LIG 1 -2.414 3.147 -0.259 0.00 0.00 -0.314 N ATOM 32 H LIG 1 -1.417 2.928 -0.404 0.00 0.00 +0.152 HD BRANCH 31 33 ATOM 33 C LIG 1 -2.939 3.592 -1.496 0.00 0.00 +0.031 A ATOM 34 C LIG 1 -2.605 4.878 -1.938 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -3.034 5.341 -3.183 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -3.781 4.511 -4.014 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.089 3.215 -3.604 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -3.661 2.755 -2.356 0.00 0.00 +0.023 A ENDBRANCH 31 33 ENDBRANCH 26 31 ENDBRANCH 23 25 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 6