REMARK Name = BDB038829 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.390 0.503 1.544 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -2.021 0.654 1.220 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -1.312 1.764 1.695 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.944 2.720 2.496 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -3.292 2.567 2.826 0.00 0.00 +0.060 A ATOM 6 C LIG 1 -4.016 1.476 2.344 0.00 0.00 +0.027 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.806 -0.679 -0.203 0.00 0.00 -0.037 A ATOM 8 C LIG 1 -4.184 -0.645 1.068 0.00 0.00 -0.011 A ATOM 9 C LIG 1 -4.333 -1.751 1.930 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -5.077 -2.869 1.556 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -5.686 -2.903 0.308 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -5.550 -1.822 -0.562 0.00 0.00 +0.004 A BRANCH 7 14 ATOM 13 C LIG 1 -3.941 0.052 -2.459 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -4.690 0.477 -1.193 0.00 0.00 +0.013 C ATOM 15 C LIG 1 -6.061 1.065 -1.540 0.00 0.00 +0.012 C ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 5 16 ATOM 16 C LIG 1 -3.986 3.567 3.664 0.00 0.00 +0.337 C ATOM 17 O LIG 1 -5.074 4.035 3.388 0.00 0.00 -0.245 OA BRANCH 16 18 ATOM 18 O LIG 1 -3.291 3.875 4.779 0.00 0.00 -0.477 OA ATOM 19 H LIG 1 -2.515 3.305 4.942 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 5 16 BRANCH 2 20 ATOM 20 O LIG 1 -1.488 -0.330 0.430 0.00 0.00 -0.488 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.143 -0.225 -0.029 0.00 0.00 +0.175 C ATOM 22 C LIG 1 0.270 -1.590 -0.592 0.00 0.00 +0.066 C ATOM 23 C LIG 1 1.162 -1.270 -1.782 0.00 0.00 +0.077 C ATOM 24 C LIG 1 0.468 -0.059 -2.397 0.00 0.00 +0.026 C ATOM 25 C LIG 1 0.000 0.763 -1.199 0.00 0.00 +0.046 C BRANCH 23 26 ATOM 26 N LIG 1 2.518 -0.964 -1.370 0.00 0.00 -0.311 N ATOM 27 H LIG 1 2.688 -0.359 -0.568 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 3.572 -0.963 -2.263 0.00 0.00 +0.230 C ATOM 29 O LIG 1 3.495 -1.384 -3.413 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 C LIG 1 4.881 -0.433 -1.659 0.00 0.00 +0.143 C ATOM 31 N LIG 1 4.597 0.639 -0.660 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 4.463 1.948 -1.295 0.00 0.00 +0.105 C ATOM 33 C LIG 1 5.736 0.596 0.264 0.00 0.00 +0.091 C ATOM 34 C LIG 1 5.903 -0.906 0.520 0.00 0.00 -0.020 C ATOM 35 C LIG 1 4.886 -1.411 1.560 0.00 0.00 +0.012 C ATOM 36 C LIG 1 7.316 -1.236 1.007 0.00 0.00 +0.012 C ATOM 37 C LIG 1 5.613 -1.522 -0.862 0.00 0.00 +0.036 C ENDBRANCH 28 30 ENDBRANCH 23 26 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 8