REMARK Name = BDB024217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.821 -2.018 0.356 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.795 -3.368 1.058 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.182 -4.526 0.363 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.162 -5.773 0.990 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.765 -5.879 2.321 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.395 -4.737 3.029 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.415 -3.489 2.405 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.504 -1.225 0.609 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.448 -1.694 -0.144 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.574 -2.526 -0.706 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.455 -0.287 1.405 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 0.861 -1.222 -0.190 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.659 -1.946 -1.002 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 2.957 -1.568 -1.117 0.00 0.00 +0.139 A ATOM 15 C LIG 1 3.511 -0.480 -0.456 0.00 0.00 +0.066 A ATOM 16 C LIG 1 2.665 0.257 0.374 0.00 0.00 +0.031 A ATOM 17 C LIG 1 1.325 -0.119 0.508 0.00 0.00 +0.046 A BRANCH 15 18 ATOM 18 N LIG 1 4.878 -0.135 -0.619 0.00 0.00 -0.304 N ATOM 19 C LIG 1 5.551 0.913 -0.028 0.00 0.00 +0.116 A ATOM 20 C LIG 1 6.856 0.857 -0.481 0.00 0.00 +0.065 A ATOM 21 N LIG 1 6.999 -0.204 -1.337 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 5.816 -0.772 -1.401 0.00 0.00 +0.204 A BRANCH 20 23 ATOM 23 C LIG 1 8.018 1.770 -0.147 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.300 1.734 1.368 0.00 0.00 +0.017 C ATOM 25 C LIG 1 7.689 3.217 -0.562 0.00 0.00 +0.017 C ATOM 26 C LIG 1 9.302 1.339 -0.885 0.00 0.00 +0.017 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -4.000 -1.242 0.803 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.764 -0.843 1.716 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.326 -0.150 -0.123 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -6.797 -0.113 0.549 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -5.508 0.705 0.393 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -5.723 1.915 -0.509 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.209 1.781 -1.819 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.388 2.905 -2.631 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.080 4.178 -2.146 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -5.591 4.322 -0.845 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.413 3.198 -0.034 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -6.262 5.330 -2.979 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -6.408 6.262 -3.655 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10