REMARK Name = BDB049763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.042 0.369 2.407 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.438 0.141 1.118 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.810 0.227 0.851 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.723 0.538 1.870 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -2.233 0.770 3.159 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.864 0.684 3.422 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.348 0.325 2.808 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.351 -0.019 1.849 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.822 1.218 1.087 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 2.491 1.370 -2.256 0.00 0.00 +0.088 C ATOM 11 C LIG 1 3.591 0.949 -1.371 0.00 0.00 +0.126 A ATOM 12 C LIG 1 3.765 0.874 -0.006 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.026 0.397 0.270 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.571 0.204 -0.918 0.00 0.00 +0.228 A ATOM 15 O LIG 1 4.743 0.520 -1.965 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.902 -0.293 -1.253 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.796 -0.629 -0.224 0.00 0.00 +0.013 A ATOM 18 C LIG 1 9.076 -1.107 -0.514 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.481 -1.255 -1.839 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.607 -0.926 -2.873 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.326 -0.448 -2.582 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -4.207 0.632 1.573 0.00 0.00 +0.091 C BRANCH 22 23 ATOM 23 C LIG 1 -4.797 -0.693 1.191 0.00 0.00 +0.063 A ATOM 24 N LIG 1 -5.184 -1.059 -0.095 0.00 0.00 -0.236 N ATOM 25 N LIG 1 -5.280 -2.412 -0.203 0.00 0.00 -0.174 NA ATOM 26 C LIG 1 -5.230 -2.852 1.052 0.00 0.00 +0.150 A ATOM 27 C LIG 1 -4.963 -1.831 1.978 0.00 0.00 +0.100 A BRANCH 24 28 ATOM 28 C LIG 1 -5.494 -0.259 -1.233 0.00 0.00 +0.066 A ATOM 29 C LIG 1 -5.970 1.051 -1.105 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -6.275 1.802 -2.245 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -6.125 1.245 -3.514 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.688 -0.070 -3.648 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -5.383 -0.825 -2.513 0.00 0.00 +0.028 A ENDBRANCH 24 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.816 -1.947 3.409 0.00 0.00 +0.340 C ATOM 35 O LIG 1 -4.716 -1.020 4.200 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.830 -3.220 3.862 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -4.715 -3.113 4.829 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10