REMARK Name = BDB024214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.843 -1.629 1.116 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.659 -2.978 1.808 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.289 -4.146 1.118 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.105 -5.353 1.799 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.278 -5.407 3.180 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.632 -4.257 3.881 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.818 -3.052 3.203 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.407 -1.113 0.334 0.00 0.00 -0.267 N ATOM 9 H LIG 1 0.120 -1.800 -0.353 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.557 -0.774 1.264 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.474 0.093 2.128 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.176 0.560 -0.051 0.00 0.00 +0.096 A ATOM 13 N LIG 1 3.362 0.957 0.948 0.00 0.00 -0.147 NA ATOM 14 N LIG 1 2.103 0.405 1.083 0.00 0.00 -0.133 NA ATOM 15 C LIG 1 1.672 -0.533 0.224 0.00 0.00 +0.147 A ATOM 16 C LIG 1 2.487 -0.954 -0.817 0.00 0.00 +0.048 A ATOM 17 C LIG 1 3.761 -0.400 -0.958 0.00 0.00 +0.033 A BRANCH 12 22 ATOM 18 C LIG 1 7.947 3.703 0.642 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.133 2.599 0.195 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.664 1.667 -0.617 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.659 0.804 -0.799 0.00 0.00 +0.144 A ATOM 22 C LIG 1 5.479 1.185 -0.123 0.00 0.00 +0.040 A ATOM 23 C LIG 1 5.833 2.353 0.522 0.00 0.00 +0.118 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.217 -1.789 -0.319 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.035 -2.401 -0.343 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.573 -0.517 -0.975 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.892 0.113 -0.499 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.240 1.339 -1.310 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -3.629 2.570 -1.029 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -3.933 3.701 -1.791 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.848 3.612 -2.846 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.460 2.387 -3.132 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.156 1.256 -2.369 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -5.156 4.769 -3.634 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -5.407 5.704 -4.274 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9