REMARK Name = BDB046548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 0.452 -1.354 -0.335 0.00 0.00 +0.106 C ENDROOT BRANCH 1 2 ATOM 2 N UNK A 1 1.544 -0.504 0.206 0.00 0.00 -0.310 N ATOM 3 H UNK A 1 1.492 -0.242 1.182 0.00 0.00 +0.149 HD ATOM 4 C UNK A 1 2.388 0.226 -0.602 0.00 0.00 +0.216 C ATOM 5 O UNK A 1 2.361 0.139 -1.825 0.00 0.00 -0.276 OA BRANCH 4 6 ATOM 6 C UNK A 1 3.332 1.133 0.158 0.00 0.00 +0.129 C BRANCH 6 7 ATOM 7 C UNK A 1 3.821 2.272 -0.738 0.00 0.00 +0.190 C BRANCH 7 8 ATOM 8 N UNK A 1 5.016 2.925 -0.176 0.00 0.00 -0.302 N ATOM 9 H UNK A 1 4.990 3.941 -0.142 0.00 0.00 +0.150 HD ATOM 10 C UNK A 0 6.256 2.325 -0.255 0.00 0.00 +0.214 C ATOM 11 O UNK A 0 6.405 1.163 -0.609 0.00 0.00 -0.276 OA BRANCH 10 12 ATOM 12 C UNK A 0 7.383 3.245 0.190 0.00 0.00 +0.098 C BRANCH 12 13 ATOM 13 C UNK A 0 8.812 2.794 -0.150 0.00 0.00 -0.008 C ATOM 14 C UNK A 0 9.241 1.538 0.609 0.00 0.00 +0.008 C ATOM 15 C UNK A 0 9.029 2.631 -1.655 0.00 0.00 +0.008 C ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 7 8 BRANCH 7 16 ATOM 16 C UNK A 1 2.763 3.376 -0.867 0.00 0.00 +0.326 C ATOM 17 O UNK A 1 3.008 4.571 -0.974 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O UNK A 1 1.491 2.940 -0.881 0.00 0.00 -0.479 OA ATOM 19 H UNK A 1 0.936 3.731 -1.056 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C UNK A 1 0.045 -2.343 0.781 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C UNK A 1 -0.695 -3.602 0.388 0.00 0.00 -0.046 A ATOM 22 C UNK A 1 -1.679 -4.113 1.252 0.00 0.00 +0.004 A ATOM 23 C UNK A 1 -2.364 -5.289 0.940 0.00 0.00 +0.000 A ATOM 24 C UNK A 1 -2.065 -5.979 -0.232 0.00 0.00 +0.000 A ATOM 25 C UNK A 1 -1.074 -5.499 -1.085 0.00 0.00 +0.000 A ATOM 26 C UNK A 1 -0.386 -4.324 -0.773 0.00 0.00 +0.004 A ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 1 27 ATOM 27 C UNK A 1 -0.692 -0.432 -0.879 0.00 0.00 +0.136 C BRANCH 27 28 ATOM 28 O UNK A 1 -0.331 0.078 -2.173 0.00 0.00 -0.390 OA ATOM 29 H UNK A 1 0.641 0.212 -2.197 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C UNK A 1 -2.078 -1.078 -1.054 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C UNK A 1 -3.149 -0.045 -1.474 0.00 0.00 +0.077 C BRANCH 31 32 ATOM 32 C UNK A 1 -3.541 0.875 -0.317 0.00 0.00 +0.216 C ATOM 33 N UNK A 1 -4.021 0.249 0.810 0.00 0.00 -0.315 N ATOM 34 H UNK A 1 -4.176 -0.749 0.793 0.00 0.00 +0.149 HD ATOM 35 O UNK A 1 -3.426 2.096 -0.397 0.00 0.00 -0.276 OA BRANCH 33 36 ATOM 36 C UNK A 1 -4.514 0.985 1.958 0.00 0.00 +0.107 C BRANCH 36 37 ATOM 37 C UNK A 1 -6.046 1.101 1.969 0.00 0.00 -0.000 C ATOM 38 C UNK A 1 -6.569 1.973 0.826 0.00 0.00 +0.009 C ATOM 39 C UNK A 1 -6.513 1.671 3.311 0.00 0.00 +0.009 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 31 32 BRANCH 31 40 ATOM 40 C UNK A 1 -4.372 -0.624 -2.214 0.00 0.00 +0.012 C BRANCH 40 42 ATOM 41 C UNK A 1 -4.734 -2.950 -1.166 0.00 0.00 +0.004 C ATOM 42 C UNK A 1 -5.327 -1.596 -1.514 0.00 0.00 -0.003 C ENDBRANCH 40 42 ENDBRANCH 31 40 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 TORSDOF 19