REMARK Name = BDB024223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.282 -0.774 -0.907 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.609 -2.074 -0.187 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.722 -2.128 1.212 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.030 -3.328 1.855 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.231 -4.488 1.110 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.126 -4.449 -0.279 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.818 -3.250 -0.925 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.153 -0.643 -1.169 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.992 -1.285 -1.933 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.087 -0.211 -0.408 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.163 0.524 0.578 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.225 0.107 -0.943 0.00 0.00 +0.084 A ATOM 13 C LIG 1 4.625 -0.725 -1.875 0.00 0.00 +0.140 A ATOM 14 N LIG 1 3.289 -0.958 -1.932 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.505 -0.339 -1.020 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.018 0.510 -0.051 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.396 0.735 -0.012 0.00 0.00 +0.032 A BRANCH 12 21 ATOM 18 C LIG 1 9.437 1.944 0.539 0.00 0.00 +0.067 C ATOM 19 C LIG 1 8.495 1.140 -0.275 0.00 0.00 +0.060 A ATOM 20 N LIG 1 7.186 1.153 -0.007 0.00 0.00 -0.172 NA ATOM 21 N LIG 1 6.625 0.324 -0.925 0.00 0.00 -0.238 N ATOM 22 C LIG 1 7.582 -0.212 -1.759 0.00 0.00 +0.115 A ATOM 23 C LIG 1 8.795 0.297 -1.362 0.00 0.00 +0.044 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.304 0.281 -0.736 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.334 0.530 0.254 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.637 -0.098 -1.207 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.678 1.043 -1.061 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -4.293 2.282 -1.881 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.991 1.339 0.402 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -6.011 0.615 1.042 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.308 0.835 2.390 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.587 1.780 3.122 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.566 2.503 2.499 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.271 2.283 1.150 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.886 1.999 4.506 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.132 2.168 5.628 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9