REMARK Name = BDB024353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.160 0.071 0.328 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.327 -1.236 1.089 0.00 0.00 -0.019 A ATOM 3 C LIG 1 -1.211 -2.475 0.435 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.345 -3.658 1.153 0.00 0.00 +0.124 A ATOM 5 F LIG 1 -1.228 -4.832 0.520 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.590 -3.641 2.521 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -1.709 -2.420 3.183 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.579 -1.224 2.472 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 1.296 -0.231 0.627 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.016 -0.906 1.323 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 0.308 0.379 -0.125 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.490 1.164 -1.058 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 5.426 0.218 0.201 0.00 0.00 +0.003 A ATOM 14 C LIG 1 4.503 0.944 -0.543 0.00 0.00 +0.121 A ATOM 15 N LIG 1 3.157 0.824 -0.431 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.675 -0.058 0.457 0.00 0.00 +0.125 A ATOM 17 C LIG 1 3.517 -0.826 1.255 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.902 -0.686 1.125 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 9.896 1.256 -1.701 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.828 0.849 -0.820 0.00 0.00 -0.274 N ATOM 21 N LIG 1 9.122 0.390 0.408 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.925 0.109 0.930 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.858 0.387 0.043 0.00 0.00 +0.021 A ATOM 24 C LIG 1 7.489 0.865 -1.088 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.027 0.099 -0.876 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -1.625 0.802 -1.509 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.407 0.467 -0.552 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.265 0.476 -1.825 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.698 0.849 -1.527 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -6.623 -0.137 -1.156 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.945 0.208 -0.862 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -8.353 1.543 -0.931 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -7.434 2.531 -1.296 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.113 2.186 -1.590 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -9.709 1.897 -0.628 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -10.805 2.185 -0.378 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9