REMARK Name = BDB004754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.352 0.041 0.533 0.00 0.00 +0.130 A ATOM 2 C LIG 1 1.493 0.046 -0.297 0.00 0.00 +0.044 A ATOM 3 C LIG 1 2.744 0.022 0.344 0.00 0.00 +0.088 A ATOM 4 C LIG 1 3.892 0.015 -0.475 0.00 0.00 +0.066 A ATOM 5 C LIG 1 3.798 0.039 -1.883 0.00 0.00 +0.060 A ATOM 6 C LIG 1 2.562 0.077 -2.506 0.00 0.00 +0.122 A ATOM 7 N LIG 1 2.819 0.011 1.694 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 1.673 0.030 2.385 0.00 0.00 +0.223 A ATOM 9 C LIG 1 1.421 0.082 -1.713 0.00 0.00 +0.059 A ATOM 10 N LIG 1 0.447 0.037 1.871 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 5.285 -0.018 0.071 0.00 0.00 +0.244 C ATOM 12 O LIG 1 6.265 -0.033 -0.668 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 5.456 -0.033 1.423 0.00 0.00 -0.325 N ATOM 14 H LIG 1 6.392 -0.039 1.801 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 4.656 -0.005 2.049 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 -0.926 0.064 -0.057 0.00 0.00 -0.320 N ATOM 17 H LIG 1 -1.011 -0.733 -0.694 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -2.087 0.035 0.848 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -2.455 1.429 1.333 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -2.465 2.532 0.462 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -2.834 3.798 0.919 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.199 3.980 2.251 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.193 2.897 3.128 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.824 1.630 2.672 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -3.286 -0.597 0.068 0.00 0.00 +0.108 C BRANCH 25 26 ATOM 26 N LIG 1 -2.947 -1.851 -0.651 0.00 0.00 -0.314 NA ATOM 27 H LIG 1 -3.731 -2.084 -1.264 0.00 0.00 +0.122 HD BRANCH 26 29 ATOM 28 C LIG 1 -2.477 -4.242 -0.524 0.00 0.00 +0.020 C ATOM 29 C LIG 1 -2.721 -2.967 0.270 0.00 0.00 +0.077 C ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 18 25 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 30 ATOM 30 O LIG 1 2.333 0.110 -3.851 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 3.475 0.130 -4.701 0.00 0.00 +0.277 C ENDBRANCH 6 30 TORSDOF 8