REMARK Name = BDB026947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.356 -1.341 -0.867 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.119 -2.710 -1.486 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.742 -2.846 -2.832 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.515 -4.109 -3.381 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.672 -5.253 -2.599 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.071 -5.136 -1.269 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.300 -3.874 -0.718 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.215 -0.333 -1.194 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.452 0.661 -1.893 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.864 1.427 -0.774 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.630 0.244 -0.054 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.336 -0.298 -0.087 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.289 0.273 -0.812 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.124 -0.546 -0.619 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.509 -1.571 0.228 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.554 1.450 -1.544 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.840 -1.429 0.515 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.377 -2.048 1.107 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.838 2.013 -1.520 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 N LIG 1 7.029 1.830 0.287 0.00 0.00 -0.312 N ATOM 21 H LIG 1 6.617 1.449 1.128 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 6.209 2.075 -0.799 0.00 0.00 +0.244 C ATOM 23 O LIG 1 6.527 2.805 -1.730 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 8.180 3.874 1.019 0.00 0.00 +0.024 C ATOM 25 C LIG 1 8.315 2.485 0.419 0.00 0.00 +0.101 C ENDBRANCH 20 25 ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.649 -0.806 -1.356 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.475 0.086 -1.833 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.686 -0.674 -0.334 0.00 0.00 +0.089 C BRANCH 28 29 ATOM 29 C LIG 1 -3.774 0.717 0.347 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -2.558 1.053 1.216 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -5.054 0.838 1.170 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.022 1.791 0.814 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.198 1.925 1.559 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -7.423 1.108 2.670 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.467 0.157 3.032 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.291 0.023 2.287 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -8.629 1.245 3.435 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.603 1.355 4.057 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10