REMARK Name = BDB007119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.013 -2.280 -0.066 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.812 -1.082 0.315 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.321 0.248 0.491 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.402 1.057 0.847 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.246 2.432 1.096 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.033 2.987 0.983 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.133 2.201 0.634 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.527 0.249 0.862 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.960 0.834 0.373 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.175 -1.057 0.570 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.158 -2.178 0.525 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.467 2.861 0.524 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.568 2.041 0.651 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.438 1.123 1.054 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.545 4.073 0.358 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.925 2.566 0.658 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.353 3.068 -0.724 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.872 1.495 1.177 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.089 0.302 0.463 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.940 -0.711 0.937 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.566 -0.500 2.174 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -7.360 0.673 2.903 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.517 1.665 2.408 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.140 -1.987 0.151 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -7.711 -1.918 -1.247 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -8.529 -2.503 -0.139 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 3.880 0.715 1.169 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.735 0.844 -0.069 0.00 0.00 -0.024 A ATOM 29 C LIG 1 5.909 0.085 -0.200 0.00 0.00 +0.051 A ATOM 30 C LIG 1 6.683 0.182 -1.357 0.00 0.00 +0.122 A ATOM 31 C LIG 1 6.340 1.080 -2.362 0.00 0.00 +0.046 A ATOM 32 C LIG 1 5.189 1.854 -2.235 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.388 1.733 -1.099 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 O LIG 1 7.824 -0.551 -1.534 0.00 0.00 -0.478 OA BRANCH 34 35 ATOM 35 C LIG 1 7.590 -1.966 -1.514 0.00 0.00 +0.278 C ATOM 36 C LIG 1 8.186 -2.536 -2.800 0.00 0.00 +0.064 C BRANCH 35 37 ATOM 37 C LIG 1 8.249 -2.603 -0.289 0.00 0.00 +0.346 C ATOM 38 O LIG 1 8.793 -2.034 0.648 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 8.151 -3.950 -0.274 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 8.632 -4.209 0.546 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10