REMARK Name = BDB010675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.569 0.084 0.429 0.00 0.00 -0.309 N ATOM 2 C LIG 1 -0.054 1.313 0.493 0.00 0.00 +0.111 A ATOM 3 C LIG 1 0.710 2.010 1.425 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.474 3.272 1.820 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.580 3.810 1.197 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.376 3.232 0.277 0.00 0.00 -0.227 NA ATOM 7 N LIG 1 1.749 1.270 1.898 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.152 1.944 -0.103 0.00 0.00 +0.074 A ATOM 9 C LIG 1 1.674 0.129 1.259 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -0.889 5.207 1.573 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.121 5.826 2.486 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.675 5.444 2.970 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -0.614 7.061 2.637 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -0.178 7.922 3.384 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -1.698 7.201 1.805 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.846 5.951 1.120 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.074 1.392 -1.163 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -3.519 1.887 -1.029 0.00 0.00 +0.038 C ATOM 19 C LIG 1 -4.404 1.227 -2.086 0.00 0.00 +0.160 C ATOM 20 O LIG 1 -3.669 0.782 -3.229 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -2.656 1.708 -3.610 0.00 0.00 +0.160 C ATOM 22 C LIG 1 -1.542 1.716 -2.568 0.00 0.00 +0.038 C ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 2.544 -0.921 1.347 0.00 0.00 -0.289 N ATOM 24 C LIG 1 3.943 -0.576 0.899 0.00 0.00 +0.132 C ATOM 25 C LIG 1 4.872 -1.809 1.075 0.00 0.00 +0.187 C ATOM 26 O LIG 1 4.875 -2.299 2.427 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 3.543 -2.663 2.815 0.00 0.00 +0.179 C ATOM 28 C LIG 1 2.602 -1.457 2.740 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 3.963 -0.066 -0.540 0.00 0.00 -0.025 A ATOM 30 C LIG 1 3.771 -0.915 -1.642 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.774 -0.409 -2.943 0.00 0.00 +0.000 A ATOM 32 C LIG 1 3.960 0.954 -3.163 0.00 0.00 +0.000 A ATOM 33 C LIG 1 4.140 1.813 -2.082 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.139 1.308 -0.781 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 0.203 -1.071 -0.369 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 -3.794 -4.817 0.434 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.273 -3.391 0.248 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.320 -3.292 -0.958 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.854 -3.367 -0.540 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.462 -2.221 0.417 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -1.650 -1.752 1.280 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -2.627 -2.889 1.551 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6