REMARK Name = BDB008143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.528 0.341 0.289 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.876 -0.197 0.325 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.812 0.440 -0.281 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.843 0.515 -1.292 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.812 -0.682 1.455 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.163 -0.256 -0.520 0.00 0.00 +0.156 C ATOM 7 C LIG 1 2.995 -1.214 -1.694 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 6.529 -0.887 1.130 0.00 0.00 +0.109 C ATOM 9 C LIG 1 5.564 -0.422 0.074 0.00 0.00 +0.211 C ATOM 10 N LIG 1 4.249 -0.685 0.354 0.00 0.00 -0.304 N ATOM 11 H LIG 1 3.977 -1.065 1.256 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 5.937 0.150 -0.945 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -1.229 -0.858 -0.385 0.00 0.00 +0.234 C ATOM 14 N LIG 1 -2.299 -1.369 0.323 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -2.712 -0.761 1.021 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -0.886 -1.288 -1.486 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -3.226 -2.290 -0.324 0.00 0.00 +0.156 C ATOM 18 C LIG 1 -3.821 -3.255 0.691 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 C LIG 1 -4.343 -1.455 -0.975 0.00 0.00 +0.231 C ATOM 20 O LIG 1 -4.605 -0.300 -0.645 0.00 0.00 -0.274 OA ATOM 21 N LIG 1 -5.093 -2.096 -1.920 0.00 0.00 -0.328 N ATOM 22 H LIG 1 -5.761 -1.518 -2.415 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -4.718 -2.889 -2.423 0.00 0.00 +0.145 HD ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 24 ATOM 24 C LIG 1 -1.338 1.617 0.031 0.00 0.00 +0.033 C BRANCH 24 25 ATOM 25 C LIG 1 -0.769 2.828 0.779 0.00 0.00 +0.017 C BRANCH 25 26 ATOM 26 C LIG 1 -1.622 4.072 0.537 0.00 0.00 +0.078 C BRANCH 26 27 ATOM 27 N LIG 1 -1.057 5.215 1.243 0.00 0.00 -0.330 NA ATOM 28 H LIG 1 -1.659 6.027 1.110 0.00 0.00 +0.118 HD ATOM 29 H LIG 1 -1.042 5.031 2.245 0.00 0.00 +0.118 HD ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 10