REMARK Name = BDB027027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.732 -2.544 -0.093 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.029 -3.630 -0.845 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.164 -3.525 -2.241 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.848 -4.497 -2.972 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.395 -5.599 -2.321 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.248 -5.735 -0.943 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.563 -4.763 -0.209 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.303 -2.413 1.390 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.880 -3.081 2.258 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 3.845 0.972 0.155 0.00 0.00 +0.004 A ATOM 11 C LIG 1 3.511 0.897 1.515 0.00 0.00 +0.036 A ATOM 12 C LIG 1 2.471 0.037 1.908 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.739 -0.748 1.011 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.758 -1.471 1.778 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.967 -1.117 3.103 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.103 -0.671 -0.350 0.00 0.00 +0.011 A ATOM 17 N LIG 1 1.984 -0.212 3.167 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.335 0.212 4.016 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.138 0.185 -0.759 0.00 0.00 +0.011 A BRANCH 10 23 ATOM 20 C LIG 1 7.685 4.107 -0.165 0.00 0.00 +0.150 C ATOM 21 N LIG 1 6.594 3.219 -0.472 0.00 0.00 -0.339 N ATOM 22 C LIG 1 5.794 2.576 0.431 0.00 0.00 +0.115 A ATOM 23 C LIG 1 4.907 1.842 -0.331 0.00 0.00 +0.089 A ATOM 24 N LIG 1 5.165 2.038 -1.673 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 6.181 2.869 -1.722 0.00 0.00 +0.199 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.192 -2.839 -0.183 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.365 -3.591 0.492 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.034 -1.692 0.180 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.169 -0.676 -0.964 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.029 0.501 -0.564 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.446 1.639 0.012 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.238 2.719 0.403 0.00 0.00 +0.029 A ATOM 33 C LIG 1 -5.620 2.661 0.212 0.00 0.00 +0.105 A ATOM 34 C LIG 1 -6.218 1.527 -0.344 0.00 0.00 +0.029 A ATOM 35 C LIG 1 -5.420 0.450 -0.732 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 S LIG 1 -6.638 4.026 0.703 0.00 0.00 +0.056 S ATOM 37 O LIG 1 -5.865 4.894 1.561 0.00 0.00 -0.153 OA ATOM 38 O LIG 1 -7.937 3.519 1.076 0.00 0.00 -0.153 OA BRANCH 36 39 ATOM 39 N LIG 1 -6.803 4.860 -0.752 0.00 0.00 -0.204 NA ATOM 40 H LIG 1 -6.354 5.772 -0.659 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 -6.446 4.340 -1.554 0.00 0.00 +0.144 HD ENDBRANCH 36 39 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10