REMARK Name = BDB001385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.716 -0.965 -0.041 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.029 0.390 -0.492 0.00 0.00 -0.262 N ATOM 3 C LIG 1 -2.478 1.199 0.535 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -2.845 2.356 0.471 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -2.430 0.403 1.767 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -2.757 0.780 3.055 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -2.620 -0.179 4.059 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.167 -1.477 3.754 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.843 -1.836 2.441 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -1.977 -0.878 1.447 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.635 -2.014 -0.691 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -2.133 -3.257 -1.119 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -2.972 -4.217 -1.690 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -4.332 -3.958 -1.835 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.856 -2.741 -1.409 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.018 -1.780 -0.839 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 -0.355 -1.253 -0.384 0.00 0.00 -0.345 OA BRANCH 17 18 ATOM 18 C LIG 1 0.657 -0.539 0.342 0.00 0.00 +0.199 C BRANCH 18 19 ATOM 19 C LIG 1 2.000 -0.780 -0.367 0.00 0.00 +0.170 C BRANCH 19 23 ATOM 20 C LIG 1 5.143 1.567 1.472 0.00 0.00 +0.120 A ATOM 21 C LIG 1 4.446 2.056 0.367 0.00 0.00 +0.046 A ATOM 22 C LIG 1 3.439 1.287 -0.228 0.00 0.00 +0.010 A ATOM 23 C LIG 1 3.115 0.016 0.269 0.00 0.00 -0.017 A ATOM 24 C LIG 1 3.818 -0.466 1.380 0.00 0.00 +0.010 A ATOM 25 C LIG 1 4.822 0.304 1.973 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 6.529 3.489 1.649 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.142 2.213 2.145 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 23 BRANCH 19 28 ATOM 28 O LIG 1 2.301 -2.180 -0.331 0.00 0.00 -0.385 OA ATOM 29 H LIG 1 1.506 -2.617 -0.687 0.00 0.00 +0.210 HD ENDBRANCH 19 28 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -1.951 0.814 -1.880 0.00 0.00 +0.114 C BRANCH 30 31 ATOM 31 C LIG 1 -0.783 1.761 -2.130 0.00 0.00 +0.047 C BRANCH 31 32 ATOM 32 C LIG 1 -0.772 2.265 -3.564 0.00 0.00 +0.157 C BRANCH 32 33 ATOM 33 O LIG 1 0.343 3.126 -3.756 0.00 0.00 -0.395 OA ATOM 34 H LIG 1 0.199 3.914 -3.202 0.00 0.00 +0.209 HD ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 11