REMARK Name = BDB008196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.424 0.598 -0.358 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.612 -1.499 0.094 0.00 0.00 -0.303 N ATOM 3 H LIG 1 -1.737 -1.133 1.032 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -0.893 -0.792 -0.837 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.688 -1.200 -1.979 0.00 0.00 -0.274 OA BRANCH 2 7 ATOM 6 C LIG 1 -1.461 -3.947 0.091 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.321 -2.731 -0.220 0.00 0.00 +0.156 C BRANCH 7 8 ATOM 8 C LIG 1 -3.619 -2.729 0.610 0.00 0.00 +0.231 C ATOM 9 O LIG 1 -3.873 -1.877 1.462 0.00 0.00 -0.274 OA ATOM 10 N LIG 1 -4.498 -3.742 0.358 0.00 0.00 -0.328 N ATOM 11 H LIG 1 -5.394 -3.705 0.831 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 -4.442 -4.304 -0.481 0.00 0.00 +0.145 HD ENDBRANCH 7 8 ENDBRANCH 2 7 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 N LIG 1 0.836 0.879 -1.043 0.00 0.00 -0.302 N ATOM 14 H LIG 1 0.786 0.859 -2.057 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 2.034 0.493 -0.477 0.00 0.00 +0.234 C ATOM 16 O LIG 1 2.125 0.099 0.686 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 3.254 0.586 -1.413 0.00 0.00 +0.156 C ATOM 18 C LIG 1 3.198 -0.503 -2.479 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 N LIG 1 4.452 0.459 -0.599 0.00 0.00 -0.304 N ATOM 20 H LIG 1 4.344 0.062 0.329 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 5.664 0.948 -0.997 0.00 0.00 +0.217 C ATOM 22 O LIG 1 5.883 1.481 -2.075 0.00 0.00 -0.275 OA BRANCH 21 23 ATOM 23 C LIG 1 6.752 0.761 -0.006 0.00 0.00 +0.075 C ATOM 24 C LIG 1 7.512 1.964 0.502 0.00 0.00 +0.013 C ATOM 25 C LIG 1 6.599 1.215 1.427 0.00 0.00 +0.013 C ENDBRANCH 21 23 ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 1 13 BRANCH 1 26 ATOM 26 C LIG 1 -1.459 1.682 -0.703 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 -2.858 1.481 -0.109 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 -2.911 1.575 1.418 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 -4.095 0.904 1.928 0.00 0.00 -0.356 N ATOM 30 H LIG 1 -4.009 -0.117 1.887 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.360 1.327 1.722 0.00 0.00 +0.188 C ATOM 32 N LIG 1 -6.364 0.533 1.618 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 -6.021 -0.428 1.712 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 -5.548 2.656 1.649 0.00 0.00 -0.370 N ATOM 35 H LIG 1 -5.085 3.147 2.403 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 -6.544 2.850 1.659 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13