REMARK Name = BDB024298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.021 -1.459 0.866 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.199 -2.097 -0.505 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.195 -3.494 -0.641 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.321 -4.083 -1.900 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.452 -3.286 -3.036 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.464 -1.898 -2.914 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.338 -1.306 -1.657 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.398 -1.271 0.301 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.171 -1.968 -0.393 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.630 -0.771 1.081 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.524 0.104 1.946 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.414 -0.019 0.271 0.00 0.00 +0.048 A ATOM 13 C LIG 1 3.434 0.497 1.123 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.130 0.118 1.170 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.727 -0.834 0.322 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.610 -1.430 -0.568 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.950 -1.022 -0.583 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 7.744 1.468 0.904 0.00 0.00 +0.137 C ATOM 19 C LIG 1 6.225 1.474 1.138 0.00 0.00 +0.136 C ATOM 20 N LIG 1 5.720 0.401 0.276 0.00 0.00 -0.326 N ATOM 21 C LIG 1 6.733 -0.011 -0.692 0.00 0.00 +0.108 C ATOM 22 C LIG 1 7.833 1.037 -0.557 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 23 C LIG 1 9.716 2.767 1.126 0.00 0.00 +0.194 C ATOM 24 O LIG 1 8.296 2.761 1.127 0.00 0.00 -0.378 OA ENDBRANCH 18 24 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.073 -0.449 1.125 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.724 0.166 1.868 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.346 -1.049 1.527 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -5.435 0.029 1.749 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -6.716 -0.613 2.297 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.739 0.840 0.496 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.220 0.236 -0.675 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.487 1.001 -1.815 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.276 2.382 -1.799 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.796 2.995 -0.639 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.531 2.229 0.500 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.549 3.167 -2.968 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.773 3.801 -3.914 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10