REMARK Name = BDB026999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.197 2.562 -0.091 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.863 2.295 -1.435 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.160 3.377 -2.283 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.778 3.168 -3.517 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.114 1.878 -3.919 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.836 0.797 -3.088 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.218 1.002 -1.852 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.722 1.417 0.429 0.00 0.00 +0.188 C ATOM 9 O LIG 1 0.460 0.767 1.441 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 5.201 -1.514 -0.046 0.00 0.00 +0.003 A ATOM 11 C LIG 1 5.013 -0.584 -1.007 0.00 0.00 +0.121 A ATOM 12 N LIG 1 3.894 0.246 -1.006 0.00 0.00 -0.239 N ATOM 13 C LIG 1 2.904 0.171 -0.027 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.948 1.128 -0.326 0.00 0.00 +0.064 A ATOM 15 C LIG 1 2.446 1.728 -1.502 0.00 0.00 +0.146 A ATOM 16 C LIG 1 3.074 -0.804 0.996 0.00 0.00 +0.029 A ATOM 17 N LIG 1 3.604 1.213 -1.913 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 4.159 -1.601 0.986 0.00 0.00 +0.012 A BRANCH 10 23 ATOM 19 C LIG 1 9.184 -4.184 -1.312 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.108 -3.560 -0.581 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.975 -3.801 0.735 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.904 -3.079 1.078 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.345 -2.379 -0.015 0.00 0.00 +0.021 A ATOM 24 C LIG 1 7.158 -2.715 -1.078 0.00 0.00 +0.116 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -1.115 3.101 0.949 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -1.282 4.082 0.729 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.435 2.466 1.084 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -2.461 1.038 1.644 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -3.879 0.547 1.838 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.600 0.023 0.754 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.915 -0.413 0.923 0.00 0.00 +0.029 A ATOM 32 C LIG 1 -6.510 -0.325 2.183 0.00 0.00 +0.105 A ATOM 33 C LIG 1 -5.812 0.212 3.268 0.00 0.00 +0.029 A ATOM 34 C LIG 1 -4.497 0.645 3.093 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 S LIG 1 -8.178 -0.874 2.415 0.00 0.00 +0.056 S ATOM 36 O LIG 1 -8.782 -1.078 1.118 0.00 0.00 -0.153 OA ATOM 37 O LIG 1 -8.791 -0.062 3.439 0.00 0.00 -0.153 OA BRANCH 35 38 ATOM 38 N LIG 1 -7.938 -2.417 3.047 0.00 0.00 -0.204 NA ATOM 39 H LIG 1 -6.965 -2.604 3.288 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -8.305 -3.103 2.385 0.00 0.00 +0.144 HD ENDBRANCH 35 38 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10