REMARK Name = BDB024191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.278 -2.081 0.828 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.994 -3.215 1.802 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.554 -3.186 3.090 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.307 -4.216 3.998 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.506 -5.294 3.630 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.958 -5.348 2.350 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.204 -4.319 1.439 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.980 -1.620 0.099 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.167 -0.846 0.900 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.410 -0.719 1.874 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.747 -1.933 -1.068 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.049 -0.247 0.582 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.604 0.409 1.621 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.795 1.026 1.407 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.476 1.035 0.194 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.870 0.353 -0.861 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.645 -0.295 -0.669 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.743 1.729 0.048 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.689 1.471 -0.924 0.00 0.00 +0.118 A ATOM 20 N LIG 1 6.743 2.323 -0.698 0.00 0.00 -0.251 N ATOM 21 N LIG 1 6.514 3.147 0.352 0.00 0.00 -0.178 NA ATOM 22 C LIG 1 5.316 2.774 0.805 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 7.985 2.477 -1.482 0.00 0.00 +0.143 C ATOM 24 C LIG 1 9.199 2.659 -0.548 0.00 0.00 +0.052 C ATOM 25 C LIG 1 7.848 3.710 -2.392 0.00 0.00 +0.052 C BRANCH 23 26 ATOM 26 C LIG 1 8.243 1.289 -2.329 0.00 0.00 +0.092 C ATOM 27 N LIG 1 8.449 0.366 -3.004 0.00 0.00 -0.194 NA ENDBRANCH 23 26 ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 28 ATOM 28 N LIG 1 -3.308 -2.509 -0.148 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 -2.817 -3.074 -0.847 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.952 -1.385 -0.842 0.00 0.00 +0.089 C BRANCH 30 32 ATOM 31 C LIG 1 -6.152 -1.604 0.449 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -5.033 -0.657 -0.005 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 -5.593 0.533 -0.775 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -5.326 1.837 -0.331 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.822 2.944 -1.026 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.593 2.761 -2.178 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -6.863 1.468 -2.630 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -6.366 0.362 -1.934 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -7.102 3.896 -2.891 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -7.513 4.816 -3.467 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 11