REMARK Name = BDB024119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.488 -0.978 1.538 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.803 -2.236 2.054 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.242 -2.867 3.230 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.609 -4.018 3.702 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.470 -4.555 3.004 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.915 -3.944 1.833 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.281 -2.793 1.360 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.238 1.003 2.589 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.276 1.643 3.370 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.331 0.186 2.564 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.195 0.425 3.422 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.049 1.450 0.057 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.000 0.576 -0.209 0.00 0.00 +0.123 A ATOM 14 N LIG 1 0.914 0.397 0.592 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 0.851 1.109 1.726 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.848 2.015 2.076 0.00 0.00 +0.044 A ATOM 17 C LIG 1 2.954 2.184 1.238 0.00 0.00 +0.015 A BRANCH 12 21 ATOM 18 C LIG 1 5.727 0.714 -3.884 0.00 0.00 +0.172 C ATOM 19 N LIG 1 5.371 1.265 -2.599 0.00 0.00 -0.274 N ATOM 20 N LIG 1 4.210 0.906 -2.026 0.00 0.00 -0.171 NA ATOM 21 C LIG 1 4.176 1.580 -0.863 0.00 0.00 +0.094 A ATOM 22 C LIG 1 5.350 2.372 -0.722 0.00 0.00 +0.049 A ATOM 23 C LIG 1 6.094 2.145 -1.856 0.00 0.00 +0.108 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.941 -1.211 1.304 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.396 -0.300 1.226 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.237 -2.013 0.113 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -2.843 -1.405 -1.247 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -3.360 -0.003 -1.476 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -4.731 0.234 -1.645 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.207 1.533 -1.843 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.315 2.609 -1.876 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -2.947 2.381 -1.710 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -2.472 1.082 -1.512 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -4.802 3.942 -2.080 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -5.194 5.022 -2.247 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9