REMARK Name = BDB051036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.704 0.958 1.147 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.244 -0.358 0.860 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.014 -0.555 0.254 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.769 0.566 -0.048 0.00 0.00 +0.138 A ATOM 5 O LIG 1 2.949 0.210 -0.627 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 2.967 -1.153 -0.692 0.00 0.00 +0.120 A ATOM 7 C LIG 1 1.368 1.873 0.207 0.00 0.00 +0.070 A ATOM 8 C LIG 1 1.801 -1.666 -0.161 0.00 0.00 +0.055 A ATOM 9 C LIG 1 0.112 2.071 0.813 0.00 0.00 +0.037 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -1.053 -1.554 1.181 0.00 0.00 +0.245 C ATOM 11 N LIG 1 -1.439 -2.290 0.087 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -1.229 -1.948 -0.846 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 -1.339 -1.821 2.340 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 -2.368 -3.395 0.180 0.00 0.00 +0.149 C BRANCH 14 15 ATOM 15 C LIG 1 -3.715 -2.960 -0.303 0.00 0.00 +0.075 A ATOM 16 C LIG 1 -3.820 -2.557 -1.737 0.00 0.00 +0.257 A ATOM 17 O LIG 1 -2.849 -2.579 -2.490 0.00 0.00 -0.267 OA ATOM 18 N LIG 1 -5.056 -2.147 -2.175 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -5.098 -1.860 -3.146 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 -6.178 -2.070 -1.385 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -7.429 -1.550 -2.020 0.00 0.00 +0.063 C ATOM 22 C LIG 1 -6.092 -2.448 -0.101 0.00 0.00 +0.067 A ATOM 23 C LIG 1 -4.841 -2.938 0.434 0.00 0.00 +0.132 A BRANCH 23 24 ATOM 24 O LIG 1 -4.864 -3.272 1.771 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -5.334 -4.604 1.969 0.00 0.00 +0.277 C ENDBRANCH 23 24 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 10 BRANCH 1 27 ATOM 26 C LIG 1 -3.211 1.069 0.791 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -2.066 1.169 1.790 0.00 0.00 +0.034 C ENDBRANCH 1 27 BRANCH 6 28 ATOM 28 C LIG 1 4.184 -1.777 -1.287 0.00 0.00 +0.158 C BRANCH 28 29 ATOM 29 N LIG 1 4.856 -2.696 -0.349 0.00 0.00 -0.293 NA ATOM 30 C LIG 1 5.898 -3.482 -1.042 0.00 0.00 +0.100 C ATOM 31 C LIG 1 7.182 -2.693 -1.400 0.00 0.00 +0.099 C ATOM 32 N LIG 1 7.794 -1.956 -0.278 0.00 0.00 -0.303 NA ATOM 33 C LIG 1 8.505 -2.859 0.627 0.00 0.00 +0.105 C ATOM 34 C LIG 1 6.759 -1.184 0.439 0.00 0.00 +0.099 C ATOM 35 C LIG 1 5.476 -1.978 0.787 0.00 0.00 +0.100 C ENDBRANCH 28 29 ENDBRANCH 6 28 BRANCH 9 36 ATOM 36 N LIG 1 -0.351 3.383 1.074 0.00 0.00 -0.327 N BRANCH 36 37 ATOM 37 C LIG 1 -0.947 4.035 -0.118 0.00 0.00 +0.078 C ATOM 38 C LIG 1 -2.103 4.943 0.305 0.00 0.00 +0.050 C ATOM 39 C LIG 1 -2.794 5.524 -0.924 0.00 0.00 +0.161 C ATOM 40 O LIG 1 -1.930 5.654 -2.055 0.00 0.00 -0.380 OA ATOM 41 C LIG 1 -0.594 5.982 -1.694 0.00 0.00 +0.161 C ATOM 42 C LIG 1 0.064 4.806 -0.981 0.00 0.00 +0.050 C ENDBRANCH 36 37 BRANCH 36 43 ATOM 43 C LIG 1 0.500 4.181 1.973 0.00 0.00 +0.102 C ATOM 44 C LIG 1 0.390 3.688 3.410 0.00 0.00 +0.024 C ENDBRANCH 36 43 ENDBRANCH 9 36 TORSDOF 10