REMARK Name = BDB004143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.003 -0.494 -0.916 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -3.814 0.454 -0.277 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -5.207 0.422 -0.481 0.00 0.00 +0.043 A ATOM 4 C LIG 1 -5.809 -0.506 -1.325 0.00 0.00 +0.080 A ATOM 5 N LIG 1 -7.186 -0.411 -1.418 0.00 0.00 -0.224 NA ATOM 6 C LIG 1 -7.633 0.584 -0.680 0.00 0.00 +0.169 A ATOM 7 C LIG 1 -4.993 -1.430 -1.998 0.00 0.00 +0.031 A ATOM 8 S LIG 1 -6.427 1.426 0.190 0.00 0.00 -0.052 S ATOM 9 C LIG 1 -3.607 -1.402 -1.796 0.00 0.00 +0.025 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -8.995 0.885 -0.577 0.00 0.00 -0.234 N ATOM 11 C LIG 1 -9.476 1.961 0.173 0.00 0.00 +0.314 C ATOM 12 O LIG 1 -8.836 2.900 0.636 0.00 0.00 -0.252 OA ATOM 13 N LIG 1 -10.839 1.957 0.394 0.00 0.00 -0.240 N ATOM 14 H LIG 1 -11.147 2.850 0.759 0.00 0.00 +0.159 HD ATOM 15 C LIG 1 -11.480 0.963 1.090 0.00 0.00 +0.220 C ATOM 16 O LIG 1 -12.427 1.242 1.824 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -10.919 -0.442 1.022 0.00 0.00 +0.098 C ATOM 18 C LIG 1 -10.653 -0.952 -0.390 0.00 0.00 +0.029 C ATOM 19 C LIG 1 -9.960 0.055 -1.302 0.00 0.00 +0.117 C ENDBRANCH 6 10 BRANCH 1 20 ATOM 20 N LIG 1 -1.605 -0.496 -0.828 0.00 0.00 -0.344 N ATOM 21 H LIG 1 -1.220 -1.421 -1.009 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.943 0.192 0.276 0.00 0.00 +0.101 C BRANCH 22 23 ATOM 23 C LIG 1 0.572 -0.026 0.208 0.00 0.00 +0.019 C BRANCH 23 24 ATOM 24 C LIG 1 1.211 0.667 -1.000 0.00 0.00 +0.002 C BRANCH 24 25 ATOM 25 C LIG 1 2.713 0.396 -1.131 0.00 0.00 +0.000 C BRANCH 25 26 ATOM 26 C LIG 1 3.543 1.000 0.003 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 5.040 0.792 -0.236 0.00 0.00 +0.019 C BRANCH 27 28 ATOM 28 C LIG 1 5.872 1.389 0.897 0.00 0.00 +0.107 C BRANCH 28 30 ATOM 29 C LIG 1 7.942 0.055 0.982 0.00 0.00 +0.401 C ATOM 30 N LIG 1 7.285 1.207 0.670 0.00 0.00 -0.281 N ATOM 31 H LIG 1 7.812 1.883 0.135 0.00 0.00 +0.152 HD ATOM 32 O LIG 1 7.442 -0.907 1.542 0.00 0.00 -0.226 OA BRANCH 29 33 ATOM 33 O LIG 1 9.222 0.161 0.559 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 10.382 -1.211 2.245 0.00 0.00 +0.055 C ATOM 35 C LIG 1 10.158 -0.929 0.755 0.00 0.00 +0.107 C ATOM 36 C LIG 1 9.720 -2.185 -0.007 0.00 0.00 +0.055 C ATOM 37 C LIG 1 11.477 -0.424 0.149 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 12