REMARK Name = BDB045393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.229 0.486 -0.866 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -1.712 -0.929 -0.447 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -1.081 -2.010 -1.345 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -1.400 -1.798 -2.766 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -2.422 -1.756 -2.830 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -0.859 -0.518 -3.217 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -1.379 0.664 -2.394 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.586 1.456 1.020 0.00 0.00 -0.022 A ATOM 9 C LIG 1 1.423 1.271 1.773 0.00 0.00 +0.006 A ATOM 10 C LIG 1 0.213 0.963 1.146 0.00 0.00 +0.004 A ATOM 11 C LIG 1 0.127 0.826 -0.252 0.00 0.00 -0.042 A ATOM 12 C LIG 1 1.293 1.039 -0.998 0.00 0.00 +0.004 A ATOM 13 C LIG 1 2.506 1.347 -0.372 0.00 0.00 +0.006 A BRANCH 8 14 ATOM 14 C LIG 1 3.891 1.795 1.695 0.00 0.00 +0.195 C BRANCH 14 15 ATOM 15 O LIG 1 4.229 0.888 2.743 0.00 0.00 -0.372 OA BRANCH 15 16 ATOM 16 C LIG 1 4.505 -0.458 2.341 0.00 0.00 +0.201 C BRANCH 16 17 ATOM 17 C LIG 1 5.659 -0.622 1.347 0.00 0.00 +0.257 C BRANCH 17 18 ATOM 18 O LIG 1 6.848 -0.074 1.917 0.00 0.00 -0.490 OA BRANCH 18 22 ATOM 19 C LIG 1 10.419 0.013 -0.223 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.320 -0.620 -0.799 0.00 0.00 +0.004 A ATOM 21 C LIG 1 8.100 -0.674 -0.118 0.00 0.00 +0.045 A ATOM 22 C LIG 1 7.976 -0.092 1.145 0.00 0.00 +0.121 A ATOM 23 C LIG 1 9.084 0.538 1.717 0.00 0.00 +0.045 A ATOM 24 C LIG 1 10.302 0.593 1.038 0.00 0.00 +0.004 A ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 O LIG 1 -3.142 -1.029 -0.607 0.00 0.00 -0.370 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.864 -0.605 0.549 0.00 0.00 +0.195 C BRANCH 26 27 ATOM 27 C LIG 1 -5.342 -0.623 0.252 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -6.166 0.430 0.680 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -7.551 0.417 0.441 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -8.127 -0.682 -0.235 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -9.511 -0.695 -0.474 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -10.318 0.362 -0.050 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -9.752 1.444 0.617 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.303 -1.737 -0.653 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -8.378 1.472 0.862 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -5.928 -1.709 -0.408 0.00 0.00 +0.006 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 10