REMARK Name = BDB027038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.338 -1.025 -1.391 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.192 -0.260 -2.350 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.621 0.411 0.293 0.00 0.00 +0.032 A ATOM 4 C LIG 1 3.017 -0.617 1.040 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.734 -1.074 0.695 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.007 -0.550 -0.370 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.249 -1.244 -0.428 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.230 -2.167 0.605 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.600 0.481 -1.120 0.00 0.00 +0.012 A ATOM 10 N LIG 1 0.967 -2.061 1.263 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.255 -2.626 2.051 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.885 0.939 -0.778 0.00 0.00 +0.024 A BRANCH 3 17 ATOM 13 C LIG 1 8.290 3.109 1.225 0.00 0.00 +0.105 C ATOM 14 N LIG 1 7.679 1.783 1.241 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 6.569 1.736 2.217 0.00 0.00 +0.103 C ATOM 16 C LIG 1 5.508 0.651 1.918 0.00 0.00 +0.120 C ATOM 17 N LIG 1 4.886 0.888 0.605 0.00 0.00 -0.327 N ATOM 18 C LIG 1 5.722 1.563 -0.402 0.00 0.00 +0.120 C ATOM 19 C LIG 1 7.228 1.369 -0.104 0.00 0.00 +0.103 C ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.685 -1.774 -1.179 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.628 -3.208 -1.692 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.002 -3.538 -2.906 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.970 -4.861 -3.353 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.575 -5.867 -2.604 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.220 -5.553 -1.410 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.252 -4.232 -0.960 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.805 -1.063 -1.856 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.467 -0.841 -2.798 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.177 0.196 -1.199 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.025 -0.018 0.064 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.459 1.296 0.671 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -4.609 1.988 1.545 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.004 3.211 2.094 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.250 3.756 1.771 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.099 3.073 0.895 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.704 1.851 0.346 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.655 5.011 2.334 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -6.983 6.026 2.792 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 9