REMARK Name = BDB024654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.549 -0.634 1.136 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.310 -1.242 0.870 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.203 -2.683 1.185 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.014 -3.530 0.191 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.769 -3.236 1.222 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.822 -2.220 1.822 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.872 -1.002 0.946 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.707 -0.291 0.591 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.587 -0.536 0.956 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 1.328 0.386 0.376 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.533 1.240 -0.377 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -0.782 0.829 -0.225 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.008 1.307 -0.698 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.164 0.603 -0.333 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.122 -0.530 0.489 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.546 -1.257 1.495 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.982 2.392 -1.158 0.00 0.00 +0.089 C ATOM 18 C LIG 1 0.557 3.732 -0.523 0.00 0.00 +0.027 C ATOM 19 C LIG 1 0.429 4.864 -1.550 0.00 0.00 +0.033 C ATOM 20 C LIG 1 1.470 4.746 -2.667 0.00 0.00 +0.118 C ATOM 21 C LIG 1 1.280 3.437 -3.454 0.00 0.00 +0.033 C ATOM 22 C LIG 1 0.600 2.322 -2.646 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 2.792 4.724 -2.109 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 3.289 6.015 -1.785 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 -6.793 1.359 1.332 0.00 0.00 +0.282 C ATOM 26 O LIG 1 -5.548 0.726 1.032 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 2.809 0.508 0.605 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 3.687 -0.590 -0.029 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 3.504 -1.978 0.571 0.00 0.00 -0.033 A ATOM 30 C LIG 1 2.485 -2.841 0.142 0.00 0.00 +0.005 A ATOM 31 C LIG 1 2.333 -4.108 0.711 0.00 0.00 +0.003 A ATOM 32 C LIG 1 3.206 -4.548 1.712 0.00 0.00 -0.050 A ATOM 33 C LIG 1 3.026 -5.897 2.343 0.00 0.00 +0.044 C ATOM 34 C LIG 1 4.213 -3.686 2.158 0.00 0.00 +0.003 A ATOM 35 C LIG 1 4.362 -2.416 1.593 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 3.654 -0.567 -1.546 0.00 0.00 +0.313 C ATOM 37 O LIG 1 2.999 0.170 -2.265 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 4.529 -1.429 -2.107 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 4.409 -1.305 -3.072 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8