REMARK Name = BDB013497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.568 -1.063 0.506 0.00 0.00 -0.043 A ATOM 2 C LIG 1 0.192 -0.930 0.734 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.754 -1.093 -0.300 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.304 -1.462 -1.583 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.250 -1.715 -2.725 0.00 0.00 +0.044 C ATOM 6 C LIG 1 1.074 -1.603 -1.808 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.996 -1.404 -0.780 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.593 -0.869 1.617 0.00 0.00 +0.030 C BRANCH 8 9 ATOM 9 C LIG 1 2.422 0.478 2.364 0.00 0.00 +0.015 C BRANCH 9 10 ATOM 10 C LIG 1 2.511 1.726 1.475 0.00 0.00 +0.059 C BRANCH 10 14 ATOM 11 N LIG 1 5.517 1.986 -0.523 0.00 0.00 -0.252 N ATOM 12 N LIG 1 5.981 2.256 0.708 0.00 0.00 -0.065 NA ATOM 13 N LIG 1 4.952 2.196 1.542 0.00 0.00 -0.135 NA ATOM 14 C LIG 1 3.831 1.886 0.817 0.00 0.00 +0.083 A ATOM 15 C LIG 1 4.175 1.760 -0.511 0.00 0.00 +0.133 A BRANCH 11 17 ATOM 16 C LIG 1 7.102 0.616 -1.811 0.00 0.00 +0.029 C ATOM 17 C LIG 1 6.414 1.961 -1.655 0.00 0.00 +0.142 C ENDBRANCH 11 17 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 8 9 BRANCH 8 18 ATOM 18 C LIG 1 2.539 -2.033 2.623 0.00 0.00 +0.128 C BRANCH 18 19 ATOM 19 C LIG 1 3.036 -3.324 2.027 0.00 0.00 +0.305 C ATOM 20 O LIG 1 3.854 -3.463 1.133 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 2.509 -4.402 2.642 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 2.918 -5.162 2.180 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -2.227 -0.926 0.036 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 N LIG 1 -2.517 0.253 0.883 0.00 0.00 -0.169 NA ATOM 25 S LIG 1 -3.850 0.153 1.916 0.00 0.00 +0.065 S ATOM 26 O LIG 1 -3.864 1.314 2.778 0.00 0.00 -0.153 OA ATOM 27 O LIG 1 -3.861 -1.183 2.479 0.00 0.00 -0.153 OA ATOM 28 C LIG 1 -5.214 0.276 0.805 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -5.376 1.416 0.025 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -6.512 1.543 -0.779 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -7.449 0.510 -0.844 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.265 -0.646 -0.087 0.00 0.00 +0.002 A ATOM 33 O LIG 1 -4.516 2.473 0.040 0.00 0.00 -0.486 OA ATOM 34 C LIG 1 -3.244 2.242 -0.587 0.00 0.00 +0.186 C ATOM 35 C LIG 1 -3.331 1.656 -1.997 0.00 0.00 +0.053 C ATOM 36 C LIG 1 -6.151 -0.763 0.745 0.00 0.00 +0.032 A ATOM 37 C LIG 1 -2.192 1.592 0.331 0.00 0.00 +0.154 C ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10