REMARK Name = BDB013603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.979 -4.016 -0.363 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.632 -3.360 -0.486 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.489 -1.972 -0.669 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.805 -1.430 -0.795 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.958 -2.220 -0.691 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.798 -3.596 -0.502 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.522 -4.157 -0.406 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.663 -1.012 -0.748 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 -1.510 0.114 0.205 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 -1.686 1.670 -0.385 0.00 0.00 +0.065 S ATOM 11 O LIG 1 -1.369 2.596 0.682 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 -0.976 1.736 -1.647 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 -3.406 1.857 -0.745 0.00 0.00 +0.147 A ATOM 14 C LIG 1 -4.409 1.043 -0.218 0.00 0.00 +0.147 A ATOM 15 C LIG 1 -5.726 1.224 -0.663 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -6.049 2.221 -1.584 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -5.049 3.044 -2.090 0.00 0.00 +0.002 A ATOM 18 O LIG 1 -4.280 0.012 0.665 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 -3.459 0.197 1.825 0.00 0.00 +0.186 C ATOM 20 C LIG 1 -3.718 1.497 2.591 0.00 0.00 +0.053 C ATOM 21 C LIG 1 -3.731 2.859 -1.678 0.00 0.00 +0.032 A ATOM 22 C LIG 1 -1.984 -0.156 1.578 0.00 0.00 +0.154 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 3.354 -1.605 -0.773 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 3.552 -0.531 0.306 0.00 0.00 -0.039 A ATOM 25 C LIG 1 3.258 0.828 0.078 0.00 0.00 +0.008 A ATOM 26 C LIG 1 3.385 1.734 1.120 0.00 0.00 -0.036 A ATOM 27 C LIG 1 3.084 3.199 1.095 0.00 0.00 +0.044 C ATOM 28 C LIG 1 3.393 3.678 2.524 0.00 0.00 +0.084 C ATOM 29 C LIG 1 3.839 2.443 3.267 0.00 0.00 +0.164 C ATOM 30 O LIG 1 4.176 2.386 4.436 0.00 0.00 -0.292 OA ATOM 31 C LIG 1 3.810 1.300 2.367 0.00 0.00 +0.021 A ATOM 32 C LIG 1 4.119 -0.019 2.637 0.00 0.00 +0.012 A ATOM 33 C LIG 1 3.980 -0.938 1.595 0.00 0.00 +0.005 A ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 3.671 -1.110 -2.196 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 3.853 -2.259 -3.148 0.00 0.00 +0.306 C ATOM 36 O LIG 1 4.271 -3.375 -2.889 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 3.556 -1.920 -4.418 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 3.724 -2.739 -4.931 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 5 23 TORSDOF 7