REMARK Name = BDB045734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.224 -1.248 -4.288 0.00 0.00 +0.088 C ATOM 2 C LIG 1 0.578 -0.366 -3.425 0.00 0.00 +0.126 A ATOM 3 C LIG 1 0.520 0.962 -3.054 0.00 0.00 +0.086 A ATOM 4 N LIG 1 1.575 1.247 -2.215 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 2.208 0.097 -2.079 0.00 0.00 +0.228 A ATOM 6 O LIG 1 1.654 -0.930 -2.799 0.00 0.00 -0.440 OA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.394 -0.213 -1.286 0.00 0.00 +0.037 A ATOM 8 C LIG 1 3.999 0.794 -0.521 0.00 0.00 +0.014 A ATOM 9 C LIG 1 5.135 0.526 0.252 0.00 0.00 +0.009 A ATOM 10 C LIG 1 5.701 -0.758 0.286 0.00 0.00 -0.018 A ATOM 11 C LIG 1 5.092 -1.764 -0.481 0.00 0.00 +0.009 A ATOM 12 C LIG 1 3.955 -1.496 -1.256 0.00 0.00 +0.014 A BRANCH 10 13 ATOM 13 C LIG 1 6.894 -1.040 1.101 0.00 0.00 -0.018 A ATOM 14 C LIG 1 6.899 -2.087 2.038 0.00 0.00 +0.008 A ATOM 15 C LIG 1 8.030 -2.354 2.815 0.00 0.00 +0.001 A ATOM 16 C LIG 1 9.177 -1.578 2.666 0.00 0.00 +0.000 A ATOM 17 C LIG 1 9.194 -0.536 1.742 0.00 0.00 +0.001 A ATOM 18 C LIG 1 8.062 -0.270 0.967 0.00 0.00 +0.008 A ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 C LIG 1 -0.449 2.023 -3.447 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 -1.848 1.813 -2.865 0.00 0.00 +0.235 C BRANCH 20 21 ATOM 21 O LIG 1 -1.812 2.040 -1.456 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.967 1.827 -0.757 0.00 0.00 +0.121 A ATOM 23 C LIG 1 -4.224 1.571 -1.307 0.00 0.00 +0.049 A ATOM 24 C LIG 1 -5.327 1.382 -0.468 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -5.171 1.427 0.916 0.00 0.00 +0.122 A ATOM 26 C LIG 1 -3.929 1.714 1.471 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -2.829 1.905 0.632 0.00 0.00 +0.049 A BRANCH 25 28 ATOM 28 O LIG 1 -6.284 1.272 1.690 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 -6.382 0.018 2.385 0.00 0.00 +0.200 C ATOM 30 C LIG 1 -5.951 0.236 3.846 0.00 0.00 +0.067 C ATOM 31 C LIG 1 -7.886 -0.316 2.393 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 -5.643 -1.220 1.815 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -4.758 -1.862 2.364 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.064 -1.589 0.584 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -5.477 -2.339 0.352 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 10