REMARK Name = BDB011492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.653 1.321 -2.804 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -1.818 -0.206 -2.653 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -1.834 -0.915 -3.666 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.829 -0.746 -1.365 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.468 -0.000 -0.204 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -0.265 0.737 -0.114 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.046 1.364 1.116 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.885 1.394 2.160 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -2.086 0.701 2.043 0.00 0.00 +0.004 A ATOM 10 S LIG 1 0.880 0.868 -1.500 0.00 0.00 -0.119 S ATOM 11 C LIG 1 -2.362 -0.014 0.880 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -0.160 1.653 -2.789 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -3.777 2.229 -1.880 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.403 2.126 -1.842 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -1.949 2.882 -1.332 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -4.479 1.559 -2.628 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -4.324 3.213 -0.818 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -5.740 3.655 -1.179 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -3.527 5.065 0.559 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -3.377 4.353 -0.704 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -3.551 5.001 -1.474 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 1.287 1.990 1.349 0.00 0.00 -0.285 N ATOM 23 H LIG 1 1.287 2.868 1.858 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 2.457 1.315 1.623 0.00 0.00 +0.217 C ATOM 25 O LIG 1 3.430 1.968 2.004 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 2.475 -0.208 1.545 0.00 0.00 +0.096 C BRANCH 26 27 ATOM 27 C LIG 1 3.849 -0.817 1.828 0.00 0.00 +0.017 C BRANCH 27 28 ATOM 28 C LIG 1 4.820 -0.625 0.663 0.00 0.00 +0.074 C BRANCH 28 29 ATOM 29 C LIG 1 6.133 -1.353 0.884 0.00 0.00 +0.130 C ATOM 30 O LIG 1 6.308 -2.149 1.807 0.00 0.00 -0.298 OA ATOM 31 C LIG 1 7.219 -1.089 -0.125 0.00 0.00 +0.086 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 32 ATOM 32 C LIG 1 -1.913 -2.207 -1.212 0.00 0.00 +0.149 C BRANCH 32 33 ATOM 33 C LIG 1 -0.552 -2.846 -0.963 0.00 0.00 -0.022 A ATOM 34 C LIG 1 -0.102 -3.265 0.326 0.00 0.00 -0.013 A ATOM 35 C LIG 1 1.214 -3.787 0.450 0.00 0.00 -0.018 A ATOM 36 C LIG 1 1.700 -4.199 1.701 0.00 0.00 +0.008 A ATOM 37 C LIG 1 0.910 -4.109 2.844 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -0.380 -3.610 2.748 0.00 0.00 +0.001 A ATOM 39 C LIG 1 2.041 -3.889 -0.676 0.00 0.00 +0.008 A ATOM 40 C LIG 1 1.596 -3.482 -1.929 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -0.876 -3.196 1.509 0.00 0.00 +0.009 A ATOM 42 C LIG 1 0.311 -2.971 -2.070 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 10