REMARK Name = BDB065049 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.438 -2.044 0.290 0.00 0.00 +0.153 C ATOM 2 C LIG 1 0.898 -1.578 1.671 0.00 0.00 +0.176 C ATOM 3 C LIG 1 2.153 -0.790 1.354 0.00 0.00 +0.195 C ATOM 4 C LIG 1 2.760 -1.649 0.240 0.00 0.00 +0.253 C ATOM 5 O LIG 1 1.649 -2.206 -0.503 0.00 0.00 -0.348 OA ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 3.597 -0.885 -0.663 0.00 0.00 -0.286 N ATOM 7 C LIG 1 4.946 -0.702 -0.529 0.00 0.00 +0.167 A ATOM 8 C LIG 1 5.295 0.148 -1.567 0.00 0.00 +0.147 A ATOM 9 C LIG 1 6.652 0.507 -1.658 0.00 0.00 +0.147 A ATOM 10 N LIG 1 7.512 0.026 -0.733 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 7.029 -0.799 0.222 0.00 0.00 +0.225 A ATOM 12 N LIG 1 4.186 0.496 -2.313 0.00 0.00 -0.231 NA ATOM 13 N LIG 1 5.761 -1.218 0.404 0.00 0.00 -0.216 NA ATOM 14 C LIG 1 3.191 -0.158 -1.752 0.00 0.00 +0.203 A BRANCH 9 15 ATOM 15 N LIG 1 7.150 1.354 -2.641 0.00 0.00 -0.341 N ATOM 16 H LIG 1 6.436 1.931 -3.071 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 8.011 1.802 -2.355 0.00 0.00 +0.144 HD ENDBRANCH 9 15 ENDBRANCH 4 6 BRANCH 2 18 ATOM 18 O LIG 1 1.254 -2.723 2.469 0.00 0.00 -0.387 OA ATOM 19 H LIG 1 1.973 -2.429 3.064 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 2.971 -0.670 2.516 0.00 0.00 -0.385 OA ATOM 21 H LIG 1 2.605 0.053 3.058 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 1 22 ATOM 22 C LIG 1 -0.465 -1.086 -0.504 0.00 0.00 +0.053 C BRANCH 22 23 ATOM 23 C LIG 1 -1.861 -0.848 0.112 0.00 0.00 +0.056 C BRANCH 23 24 ATOM 24 N LIG 1 -1.807 0.042 1.283 0.00 0.00 -0.311 NA ATOM 25 H LIG 1 -2.526 -0.272 1.941 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 -1.971 1.499 1.103 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -2.055 2.102 2.515 0.00 0.00 +0.024 C BRANCH 26 29 ATOM 28 C LIG 1 -0.979 3.669 0.148 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -0.841 2.156 0.288 0.00 0.00 +0.015 C ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 -2.909 -0.484 -0.966 0.00 0.00 +0.021 C BRANCH 30 31 ATOM 31 C LIG 1 -4.355 -0.580 -0.451 0.00 0.00 +0.031 C BRANCH 31 32 ATOM 32 CA LIG 1 -5.385 -0.161 -1.510 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -6.737 -0.113 -0.911 0.00 0.00 -0.318 NA ATOM 34 H1 LIG 1 -6.712 0.408 -0.037 0.00 0.00 +0.119 HD ATOM 35 H2 LIG 1 -7.021 -1.067 -0.674 0.00 0.00 +0.119 HD ENDBRANCH 32 33 BRANCH 32 36 ATOM 36 C LIG 1 -5.396 -1.158 -2.673 0.00 0.00 +0.322 C ATOM 37 O LIG 1 -5.897 -2.272 -2.666 0.00 0.00 -0.249 OA BRANCH 36 38 ATOM 38 OXT LIG 1 -4.737 -0.708 -3.760 0.00 0.00 -0.480 OA ATOM 39 HXT LIG 1 -4.851 -1.426 -4.416 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 15