REMARK Name = BDB024150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.687 0.631 0.122 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.883 -0.054 -1.225 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.809 0.708 -2.406 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.999 0.113 -3.654 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.277 -1.249 -3.742 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.371 -2.014 -2.582 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.180 -1.422 -1.332 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.185 -0.301 1.257 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.135 -0.606 1.404 0.00 0.00 -0.267 N ATOM 10 H LIG 1 -1.331 -1.182 2.212 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.952 -0.817 2.083 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.266 -0.330 0.682 0.00 0.00 +0.147 A ATOM 13 N LIG 1 -3.417 -0.791 1.181 0.00 0.00 -0.156 NA ATOM 14 N LIG 1 -4.360 -0.408 0.300 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -3.844 0.294 -0.745 0.00 0.00 +0.110 A ATOM 16 C LIG 1 -2.486 0.352 -0.529 0.00 0.00 +0.065 A BRANCH 14 17 ATOM 17 C LIG 1 -5.755 -0.751 0.574 0.00 0.00 +0.111 C ATOM 18 C LIG 1 -6.547 -1.202 -0.665 0.00 0.00 +0.055 C ATOM 19 C LIG 1 -7.540 -0.143 -1.129 0.00 0.00 +0.162 C ATOM 20 O LIG 1 -6.975 1.152 -0.980 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -6.817 1.542 0.385 0.00 0.00 +0.162 C ATOM 22 C LIG 1 -6.469 0.382 1.312 0.00 0.00 +0.055 C ENDBRANCH 14 17 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 N LIG 1 1.875 1.431 0.539 0.00 0.00 -0.302 NA ATOM 24 H LIG 1 1.988 2.198 -0.120 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 3.136 0.678 0.584 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 C LIG 1 4.220 1.527 1.264 0.00 0.00 +0.050 C BRANCH 26 30 ATOM 27 C LIG 1 7.984 -0.583 1.430 0.00 0.00 +0.052 A ATOM 28 C LIG 1 7.005 -0.815 2.401 0.00 0.00 +0.019 A ATOM 29 C LIG 1 5.791 -0.128 2.348 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.543 0.801 1.327 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.526 1.025 0.354 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.742 0.338 0.406 0.00 0.00 +0.019 A BRANCH 27 34 ATOM 33 N LIG 1 10.242 -1.858 1.522 0.00 0.00 -0.191 NA ATOM 34 C LIG 1 9.231 -1.289 1.483 0.00 0.00 +0.099 C ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9