REMARK Name = BDB004570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.196 -3.028 0.003 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -1.313 -2.221 0.283 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.582 -2.532 -0.221 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.737 -3.678 -0.998 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.640 -4.502 -1.265 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.376 -4.180 -0.769 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.619 -1.628 0.076 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -3.364 -0.854 0.670 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -4.941 -1.706 -0.278 0.00 0.00 +0.310 C ATOM 10 N LIG 1 -5.681 -0.584 0.026 0.00 0.00 -0.236 N ATOM 11 H LIG 1 -6.622 -0.857 -0.244 0.00 0.00 +0.159 HD ATOM 12 C LIG 1 -5.430 0.568 -0.686 0.00 0.00 +0.251 C ATOM 13 O LIG 1 -6.162 0.940 -1.595 0.00 0.00 -0.270 OA ATOM 14 O LIG 1 -5.503 -2.656 -0.813 0.00 0.00 -0.252 OA BRANCH 12 15 ATOM 15 C LIG 1 -4.256 1.382 -0.288 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -3.928 1.566 1.061 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -2.801 2.314 1.404 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.012 2.886 0.404 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -2.354 2.724 -0.939 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -3.479 1.977 -1.288 0.00 0.00 +0.013 A ENDBRANCH 12 15 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 1.167 -2.653 0.543 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 1.460 -1.278 0.153 0.00 0.00 -0.324 N ATOM 23 H LIG 1 1.418 -1.176 -0.858 0.00 0.00 +0.148 HD BRANCH 22 27 ATOM 24 C LIG 1 4.623 2.370 0.500 0.00 0.00 +0.063 A ATOM 25 C LIG 1 4.261 1.040 0.802 0.00 0.00 +0.088 A ATOM 26 C LIG 1 3.022 0.579 0.317 0.00 0.00 +0.041 A ATOM 27 C LIG 1 2.682 -0.756 0.620 0.00 0.00 +0.130 A ATOM 28 N LIG 1 3.469 -1.546 1.365 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 4.617 -1.017 1.783 0.00 0.00 +0.223 A ATOM 30 C LIG 1 2.177 1.444 -0.425 0.00 0.00 +0.013 A ATOM 31 C LIG 1 2.551 2.750 -0.708 0.00 0.00 +0.002 A ATOM 32 N LIG 1 5.053 0.223 1.533 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 3.775 3.210 -0.249 0.00 0.00 +0.015 A BRANCH 24 37 ATOM 34 N LIG 1 6.793 2.228 1.649 0.00 0.00 -0.325 N ATOM 35 H LIG 1 6.572 1.266 1.894 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 7.655 2.644 1.969 0.00 0.00 +0.145 HD ATOM 37 C LIG 1 5.911 2.991 0.944 0.00 0.00 +0.244 C ATOM 38 O LIG 1 6.183 4.159 0.687 0.00 0.00 -0.270 OA ENDBRANCH 24 37 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6