REMARK Name = BDB048931 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.225 -0.417 -2.645 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.192 -0.937 -1.849 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.429 -2.141 -2.196 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.009 -2.856 -3.312 0.00 0.00 +0.046 A ATOM 5 C LIG 1 1.043 -2.353 -4.102 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.647 -1.139 -3.772 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.902 0.869 -2.253 0.00 0.00 +0.140 C BRANCH 7 9 ATOM 8 C LIG 1 3.532 1.647 -0.595 0.00 0.00 +0.245 C ATOM 9 N LIG 1 2.959 0.614 -1.304 0.00 0.00 -0.307 N ATOM 10 H LIG 1 3.445 -0.271 -1.363 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 3.153 2.810 -0.669 0.00 0.00 -0.270 OA BRANCH 8 16 ATOM 12 C LIG 1 6.793 0.491 1.962 0.00 0.00 +0.120 A ATOM 13 C LIG 1 6.878 1.674 1.223 0.00 0.00 +0.049 A ATOM 14 C LIG 1 5.835 2.071 0.364 0.00 0.00 -0.035 A ATOM 15 C LIG 1 5.978 3.358 -0.403 0.00 0.00 +0.044 C ATOM 16 C LIG 1 4.684 1.264 0.272 0.00 0.00 +0.040 A ATOM 17 C LIG 1 4.595 0.086 1.024 0.00 0.00 +0.017 A ATOM 18 C LIG 1 5.647 -0.297 1.859 0.00 0.00 +0.046 A BRANCH 12 20 ATOM 19 C LIG 1 8.934 0.778 2.964 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.747 0.003 2.812 0.00 0.00 -0.495 OA ENDBRANCH 12 20 ENDBRANCH 8 16 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 21 ATOM 21 O LIG 1 -1.431 -2.724 -1.450 0.00 0.00 -0.456 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.366 -1.882 -0.892 0.00 0.00 +0.129 A ATOM 23 C LIG 1 -2.547 -1.941 0.490 0.00 0.00 +0.053 A ATOM 24 C LIG 1 -3.484 -1.108 1.116 0.00 0.00 -0.005 A ATOM 25 C LIG 1 -3.631 -1.131 2.611 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -4.274 -0.265 0.321 0.00 0.00 +0.125 A ATOM 27 C LIG 1 -4.086 -0.203 -1.062 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -3.143 -1.027 -1.674 0.00 0.00 +0.050 A BRANCH 26 29 ATOM 29 O LIG 1 -5.164 0.578 0.920 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.566 0.222 0.890 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -6.887 -1.245 0.549 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -7.245 1.177 -0.098 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -7.088 0.504 2.321 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -6.384 0.783 3.281 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -8.434 0.397 2.472 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -8.940 0.162 1.675 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 10