REMARK Name = BDB056130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.629 0.452 -1.559 0.00 0.00 +0.160 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.586 0.503 -0.489 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.807 0.708 -1.611 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.249 0.541 -2.510 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.099 0.293 0.622 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.109 0.505 -0.758 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 4.024 2.066 0.922 0.00 0.00 +0.230 C ATOM 8 N LIG 1 3.808 0.774 0.489 0.00 0.00 -0.302 N ATOM 9 H LIG 1 3.706 0.114 1.258 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 3.848 3.049 0.207 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 4.450 2.161 2.410 0.00 0.00 +0.137 C ATOM 12 C LIG 1 5.495 3.265 2.575 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 5.043 0.759 4.328 0.00 0.00 +0.101 C ATOM 14 N LIG 1 4.940 0.831 2.876 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 5.859 0.660 2.459 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 3.557 -0.819 -1.419 0.00 0.00 +0.012 C ATOM 17 C LIG 1 3.318 -2.050 -0.540 0.00 0.00 +0.009 C ATOM 18 C LIG 1 5.030 -0.752 -1.833 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.818 -1.020 -1.965 0.00 0.00 +0.249 C ATOM 20 N LIG 1 -1.897 -1.643 -1.355 0.00 0.00 -0.235 N ATOM 21 H LIG 1 -2.088 -1.409 -0.384 0.00 0.00 +0.173 HD ATOM 22 O LIG 1 -0.097 -1.573 -2.798 0.00 0.00 -0.272 OA BRANCH 20 23 ATOM 23 N LIG 1 -2.085 -2.999 -1.705 0.00 0.00 -0.264 N ATOM 24 H LIG 1 -1.223 -3.409 -2.083 0.00 0.00 +0.170 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.699 -3.795 -0.715 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -3.799 -3.344 0.030 0.00 0.00 +0.024 A ATOM 27 C LIG 1 -4.446 -4.187 0.937 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -4.007 -5.498 1.106 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.932 -5.970 0.355 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -2.290 -5.127 -0.555 0.00 0.00 +0.024 A ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 31 ATOM 31 C LIG 1 -1.356 1.377 -2.544 0.00 0.00 +0.033 C BRANCH 31 32 ATOM 32 C LIG 1 -2.879 1.427 -2.391 0.00 0.00 +0.023 C BRANCH 32 33 ATOM 33 C LIG 1 -3.334 2.066 -1.079 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -4.791 2.182 -1.075 0.00 0.00 -0.355 N ATOM 35 H LIG 1 -5.234 1.302 -1.342 0.00 0.00 +0.162 HD BRANCH 34 36 ATOM 36 C LIG 1 -5.471 2.735 -0.020 0.00 0.00 +0.220 C ATOM 37 N LIG 1 -6.497 2.103 0.451 0.00 0.00 -0.060 NA BRANCH 36 38 ATOM 38 N LIG 1 -4.918 3.920 0.364 0.00 0.00 -0.368 N ATOM 39 H LIG 1 -4.571 4.458 -0.422 0.00 0.00 +0.159 HD ATOM 40 H LIG 1 -5.535 4.502 0.929 0.00 0.00 +0.159 HD ENDBRANCH 36 38 BRANCH 37 41 ATOM 41 N LIG 1 -7.139 2.645 1.501 0.00 0.00 +0.156 N ATOM 42 O LIG 1 -7.375 3.866 1.527 0.00 0.00 -0.106 OA ATOM 43 O LIG 1 -7.503 1.880 2.403 0.00 0.00 -0.106 OA ENDBRANCH 37 41 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 16