REMARK Name = BDB000033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.761 -1.447 -0.986 0.00 0.00 +0.044 A ATOM 2 C LIG 1 3.106 -1.124 -1.108 0.00 0.00 +0.071 A ATOM 3 C LIG 1 3.934 -0.230 -0.302 0.00 0.00 +0.256 C ATOM 4 N LIG 1 5.189 -0.248 -0.841 0.00 0.00 -0.222 N ATOM 5 C LIG 1 5.253 -1.084 -1.923 0.00 0.00 +0.255 C ATOM 6 O LIG 1 6.196 -1.321 -2.652 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 3.532 0.368 0.679 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 3.919 -1.655 -2.094 0.00 0.00 +0.051 A ATOM 9 C LIG 1 3.448 -2.554 -3.028 0.00 0.00 +0.014 A ATOM 10 C LIG 1 2.106 -2.920 -2.929 0.00 0.00 +0.003 A ATOM 11 C LIG 1 1.278 -2.376 -1.921 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 6.337 0.490 -0.333 0.00 0.00 +0.171 C ATOM 13 C LIG 1 6.622 0.051 1.102 0.00 0.00 +0.240 C ATOM 14 O LIG 1 6.767 -1.128 1.420 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.662 1.039 2.054 0.00 0.00 -0.255 N ATOM 16 H LIG 1 6.839 0.718 2.997 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.060 2.268 1.984 0.00 0.00 +0.219 C ATOM 18 O LIG 1 5.894 2.942 2.998 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 5.561 2.718 0.633 0.00 0.00 +0.098 C ATOM 20 C LIG 1 6.262 2.005 -0.509 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 0.969 -0.880 0.022 0.00 0.00 -0.314 N ATOM 22 H LIG 1 1.507 -0.335 0.702 0.00 0.00 +0.152 HD BRANCH 21 32 ATOM 23 C LIG 1 -0.230 -0.689 2.623 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -1.040 -0.501 1.365 0.00 0.00 -0.019 A ATOM 25 C LIG 1 -2.433 -0.235 1.409 0.00 0.00 +0.024 A ATOM 26 C LIG 1 -3.397 -0.073 2.432 0.00 0.00 +0.143 A ATOM 27 N LIG 1 -4.623 0.162 1.964 0.00 0.00 -0.178 NA ATOM 28 N LIG 1 -4.454 0.166 0.624 0.00 0.00 -0.261 N ATOM 29 C LIG 1 -3.158 -0.081 0.230 0.00 0.00 +0.070 A ATOM 30 C LIG 1 -2.560 -0.182 -1.029 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -1.187 -0.441 -1.071 0.00 0.00 +0.025 A ATOM 32 C LIG 1 -0.416 -0.596 0.090 0.00 0.00 +0.035 A BRANCH 28 33 ATOM 33 C LIG 1 -5.609 0.393 -0.237 0.00 0.00 +0.112 C ATOM 34 C LIG 1 -6.411 1.632 0.166 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -7.561 1.859 -0.810 0.00 0.00 +0.162 C ATOM 36 O LIG 1 -7.971 0.664 -1.478 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -7.951 -0.473 -0.621 0.00 0.00 +0.162 C ATOM 38 C LIG 1 -6.510 -0.848 -0.303 0.00 0.00 +0.055 C ENDBRANCH 28 33 ENDBRANCH 21 32 ENDBRANCH 1 21 TORSDOF 4