REMARK Name = BDB044275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N UNK A 1 -0.385 0.663 -0.898 0.00 0.00 -0.303 N ATOM 2 H UNK A 1 -0.260 1.663 -1.023 0.00 0.00 +0.149 HD ATOM 3 C UNK A 1 -1.578 0.146 -0.449 0.00 0.00 +0.234 C ATOM 4 O UNK A 1 -1.755 -1.062 -0.302 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 6 ATOM 5 C UNK A 1 0.652 -0.741 -2.628 0.00 0.00 +0.038 C ATOM 6 C UNK A 1 0.760 -0.181 -1.215 0.00 0.00 +0.156 C BRANCH 6 7 ATOM 7 C UNK A 1 2.027 0.680 -1.059 0.00 0.00 +0.234 C ATOM 8 N UNK A 1 3.212 -0.026 -1.043 0.00 0.00 -0.304 N ATOM 9 H UNK A 1 3.197 -0.953 -1.456 0.00 0.00 +0.149 HD ATOM 10 O UNK A 1 1.979 1.906 -0.957 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 C UNK A 1 4.494 0.671 -1.122 0.00 0.00 +0.139 C BRANCH 11 12 ATOM 12 C UNK A 1 5.600 -0.077 -0.349 0.00 0.00 +0.016 C ATOM 13 C UNK A 1 5.208 -0.266 1.131 0.00 0.00 +0.006 C ATOM 14 C UNK A 1 6.307 -0.955 1.935 0.00 0.00 +0.000 C ATOM 15 C UNK A 1 7.635 -0.216 1.823 0.00 0.00 +0.000 C ATOM 16 C UNK A 1 8.043 -0.031 0.367 0.00 0.00 +0.000 C ATOM 17 C UNK A 1 6.950 0.661 -0.444 0.00 0.00 +0.006 C ENDBRANCH 11 12 BRANCH 11 18 ATOM 18 C UNK A 1 4.829 0.753 -2.610 0.00 0.00 +0.245 C ATOM 19 O UNK A 1 4.488 -0.095 -3.434 0.00 0.00 -0.299 OA ENDBRANCH 11 18 ENDBRANCH 8 11 ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 3 20 ATOM 20 C UNK A 1 -2.658 1.201 -0.129 0.00 0.00 +0.166 C BRANCH 20 21 ATOM 21 N UNK A 1 -3.934 0.527 0.071 0.00 0.00 -0.269 N ATOM 22 H UNK A 1 -3.954 -0.211 0.764 0.00 0.00 +0.153 HD ATOM 23 C UNK A 0 -4.772 0.291 -0.976 0.00 0.00 +0.401 C ATOM 24 O UNK A 0 -4.700 0.839 -2.064 0.00 0.00 -0.226 OA BRANCH 23 25 ATOM 25 O UNK A 0 -5.673 -0.645 -0.607 0.00 0.00 -0.445 OA BRANCH 25 26 ATOM 26 C UNK A 0 -6.676 -1.119 -1.542 0.00 0.00 +0.107 C ATOM 27 C UNK A 0 -6.029 -1.809 -2.748 0.00 0.00 +0.055 C ATOM 28 C UNK A 0 -7.481 -2.162 -0.753 0.00 0.00 +0.055 C ATOM 29 C UNK A 0 -7.620 0.011 -1.966 0.00 0.00 +0.055 C ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 20 21 BRANCH 20 30 ATOM 30 C UNK A 1 -2.271 2.084 1.070 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C UNK A 1 -2.119 1.354 2.385 0.00 0.00 -0.045 A ATOM 32 C UNK A 1 -3.225 1.172 3.228 0.00 0.00 +0.004 A ATOM 33 C UNK A 1 -3.090 0.486 4.435 0.00 0.00 +0.000 A ATOM 34 C UNK A 1 -1.850 -0.024 4.813 0.00 0.00 +0.000 A ATOM 35 C UNK A 1 -0.743 0.153 3.985 0.00 0.00 +0.000 A ATOM 36 C UNK A 1 -0.876 0.840 2.777 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 20 30 ENDBRANCH 3 20 TORSDOF 11