REMARK Name = BDB016427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.133 0.695 -3.115 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.564 1.129 -4.386 0.00 0.00 +0.146 A ATOM 3 N LIG 1 -1.879 1.176 -4.679 0.00 0.00 -0.236 NA ATOM 4 C LIG 1 -2.737 0.786 -3.704 0.00 0.00 +0.141 A ATOM 5 C LIG 1 -2.330 0.348 -2.449 0.00 0.00 +0.090 A ATOM 6 N LIG 1 -1.008 0.307 -2.143 0.00 0.00 -0.239 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.260 -0.077 -1.384 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.918 0.091 -0.027 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -3.780 -0.302 1.002 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -5.012 -0.871 0.682 0.00 0.00 +0.088 A ATOM 11 C LIG 1 -5.372 -1.077 -0.649 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -4.502 -0.678 -1.670 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 S LIG 1 -6.099 -1.388 1.993 0.00 0.00 -0.001 S ATOM 14 O LIG 1 -5.249 -1.944 3.029 0.00 0.00 -0.169 OA ATOM 15 O LIG 1 -7.152 -2.187 1.395 0.00 0.00 -0.169 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.817 0.142 2.607 0.00 0.00 +0.130 C ATOM 17 C LIG 1 -7.705 -0.151 3.815 0.00 0.00 +0.032 C ATOM 18 C LIG 1 -7.608 0.878 1.531 0.00 0.00 +0.032 C ENDBRANCH 13 16 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 22 ATOM 19 C LIG 1 3.270 0.338 -1.780 0.00 0.00 +0.114 A ATOM 20 N LIG 1 3.456 0.904 -2.985 0.00 0.00 -0.078 NA ATOM 21 O LIG 1 2.208 1.065 -3.543 0.00 0.00 -0.352 OA ATOM 22 C LIG 1 1.256 0.603 -2.692 0.00 0.00 +0.189 A ATOM 23 C LIG 1 1.881 0.135 -1.559 0.00 0.00 +0.083 A BRANCH 19 27 ATOM 24 C LIG 1 6.571 -0.602 0.809 0.00 0.00 -0.034 A ATOM 25 C LIG 1 5.282 -1.061 1.105 0.00 0.00 +0.005 A ATOM 26 C LIG 1 4.206 -0.758 0.262 0.00 0.00 +0.010 A ATOM 27 C LIG 1 4.393 0.015 -0.894 0.00 0.00 +0.004 A ATOM 28 C LIG 1 5.686 0.476 -1.183 0.00 0.00 +0.010 A ATOM 29 C LIG 1 6.761 0.174 -0.341 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 7.737 -0.921 1.716 0.00 0.00 +0.116 C BRANCH 30 32 ATOM 31 C LIG 1 9.267 -0.038 3.348 0.00 0.00 +0.101 C ATOM 32 N LIG 1 8.181 0.274 2.431 0.00 0.00 -0.315 NA ATOM 33 H LIG 1 7.394 0.658 2.950 0.00 0.00 +0.122 HD ENDBRANCH 30 32 ENDBRANCH 24 30 ENDBRANCH 19 27 ENDBRANCH 1 22 BRANCH 2 34 ATOM 34 N LIG 1 0.299 1.525 -5.417 0.00 0.00 -0.341 N ATOM 35 H LIG 1 0.886 2.292 -5.096 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 0.929 0.761 -5.647 0.00 0.00 +0.144 HD ENDBRANCH 2 34 TORSDOF 8