REMARK Name = BDB024139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.603 0.044 -0.740 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.976 -1.319 -0.171 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.546 -1.750 1.096 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.915 -3.005 1.584 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.728 -3.841 0.822 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.181 -3.420 -0.425 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.812 -2.167 -0.917 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.819 -0.318 -0.516 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.570 -1.247 -0.849 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.205 0.593 -0.318 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.061 1.748 0.083 0.00 0.00 -0.273 OA BRANCH 8 13 ATOM 12 C LIG 1 3.020 -1.282 -0.529 0.00 0.00 +0.142 A ATOM 13 C LIG 1 2.200 -0.163 -0.270 0.00 0.00 +0.076 A ATOM 14 C LIG 1 2.775 1.013 0.206 0.00 0.00 +0.027 A ATOM 15 C LIG 1 4.155 1.084 0.424 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.980 -0.017 0.170 0.00 0.00 -0.011 A ATOM 17 C LIG 1 4.400 -1.202 -0.308 0.00 0.00 +0.056 A BRANCH 16 18 ATOM 18 C LIG 1 6.413 0.051 0.399 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.189 1.185 0.268 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.470 0.811 0.555 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.642 1.652 0.551 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.591 -0.492 0.863 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.341 -0.952 0.768 0.00 0.00 +0.142 A ENDBRANCH 16 18 BRANCH 12 25 ATOM 24 C LIG 1 3.139 -3.561 -1.239 0.00 0.00 +0.277 C ATOM 25 O LIG 1 2.360 -2.395 -0.999 0.00 0.00 -0.493 OA ENDBRANCH 12 25 ENDBRANCH 8 13 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -2.661 1.074 -0.568 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -2.248 1.960 -0.871 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.109 1.245 0.823 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.049 2.454 0.973 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.400 2.258 0.325 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.408 1.544 0.989 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.652 1.348 0.385 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -7.902 1.863 -0.890 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.901 2.574 -1.559 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.657 2.768 -0.954 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -9.177 1.659 -1.512 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -10.211 1.495 -2.014 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10