REMARK Name = BDB058499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.972 1.385 0.457 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -1.050 0.034 0.147 0.00 0.00 -0.002 A ATOM 3 C LIG 1 -2.393 -0.459 0.258 0.00 0.00 +0.029 A ATOM 4 C LIG 1 -3.299 0.513 0.641 0.00 0.00 +0.075 A ATOM 5 S LIG 1 -2.517 2.020 0.857 0.00 0.00 -0.083 S ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 2.486 3.969 0.575 0.00 0.00 -0.042 A ATOM 7 C LIG 1 1.385 4.256 -0.255 0.00 0.00 +0.005 A ATOM 8 C LIG 1 0.257 3.427 -0.289 0.00 0.00 +0.009 A ATOM 9 C LIG 1 0.191 2.281 0.508 0.00 0.00 -0.011 A ATOM 10 C LIG 1 1.276 1.988 1.340 0.00 0.00 +0.009 A ATOM 11 C LIG 1 2.404 2.818 1.373 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 4.324 4.957 -0.838 0.00 0.00 +0.015 C ATOM 13 C LIG 1 3.712 4.898 0.579 0.00 0.00 -0.013 C ATOM 14 C LIG 1 3.287 6.319 1.008 0.00 0.00 +0.015 C ATOM 15 C LIG 1 4.834 4.447 1.542 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 0.109 -0.759 -0.245 0.00 0.00 -0.017 A ATOM 17 C LIG 1 0.841 -0.433 -1.392 0.00 0.00 +0.009 A ATOM 18 C LIG 1 1.962 -1.186 -1.747 0.00 0.00 +0.005 A ATOM 19 C LIG 1 2.368 -2.277 -0.964 0.00 0.00 -0.033 A ATOM 20 C LIG 1 1.619 -2.611 0.172 0.00 0.00 +0.005 A ATOM 21 C LIG 1 0.496 -1.859 0.528 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 3.596 -3.077 -1.345 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 4.819 -2.264 -1.409 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 5.939 -3.035 -1.977 0.00 0.00 +0.100 C ATOM 25 C LIG 1 7.225 -2.180 -2.129 0.00 0.00 +0.096 C ATOM 26 N LIG 1 7.219 -0.920 -1.359 0.00 0.00 -0.314 NA ATOM 27 H LIG 1 6.543 -0.311 -1.827 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 6.654 -1.187 -0.025 0.00 0.00 +0.096 C ATOM 29 C LIG 1 5.202 -1.730 -0.082 0.00 0.00 +0.100 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 30 ATOM 30 C LIG 1 -4.739 0.424 0.855 0.00 0.00 +0.251 C ATOM 31 N LIG 1 -5.226 -0.869 0.969 0.00 0.00 -0.311 N ATOM 32 H LIG 1 -4.559 -1.597 1.176 0.00 0.00 +0.149 HD ATOM 33 O LIG 1 -5.484 1.396 0.948 0.00 0.00 -0.270 OA BRANCH 31 34 ATOM 34 C LIG 1 -6.613 -1.111 1.323 0.00 0.00 +0.108 C BRANCH 34 35 ATOM 35 C LIG 1 -7.026 -2.568 1.046 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -8.439 -2.851 1.602 0.00 0.00 +0.020 C ATOM 37 C LIG 1 -9.512 -2.962 0.515 0.00 0.00 +0.081 C ATOM 38 N LIG 1 -9.297 -1.960 -0.518 0.00 0.00 -0.316 NA ATOM 39 H LIG 1 -10.081 -1.939 -1.170 0.00 0.00 +0.122 HD ATOM 40 C LIG 1 -8.048 -2.168 -1.252 0.00 0.00 +0.081 C ATOM 41 C LIG 1 -6.974 -2.910 -0.450 0.00 0.00 +0.020 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 4 30 TORSDOF 8