REMARK Name = BDB007724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.546 1.742 -0.315 0.00 0.00 -0.033 A ATOM 2 C LIG 1 0.439 0.984 0.094 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.465 0.467 -0.845 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -0.249 0.698 -2.210 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.841 1.464 -2.625 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.726 1.991 -1.684 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.613 -0.345 -0.347 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -2.697 -0.462 -1.190 0.00 0.00 -0.309 N ATOM 9 H LIG 1 -2.803 0.204 -1.947 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -1.575 -0.854 0.769 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -3.937 -1.075 -0.738 0.00 0.00 +0.137 C BRANCH 11 12 ATOM 12 C LIG 1 -4.821 -1.438 -1.934 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 O LIG 1 -5.141 -0.233 -2.656 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 -5.925 0.128 -2.188 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 -6.132 -2.154 -1.548 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 -7.074 -1.219 -0.894 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -8.436 -1.377 -1.452 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -9.481 -0.544 -0.741 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -9.264 -0.077 0.568 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -10.256 0.670 1.217 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -11.469 0.931 0.583 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -11.697 0.452 -0.705 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.942 -0.331 1.246 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -10.710 -0.285 -1.364 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -7.135 -1.444 0.564 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 2.513 2.301 0.710 0.00 0.00 +0.119 C BRANCH 26 30 ATOM 27 N LIG 1 6.524 0.940 1.556 0.00 0.00 -0.298 NA ATOM 28 C LIG 1 6.283 2.332 1.103 0.00 0.00 +0.100 C ATOM 29 C LIG 1 4.821 2.797 1.258 0.00 0.00 +0.100 C ATOM 30 N LIG 1 3.918 2.005 0.405 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 4.240 0.564 0.465 0.00 0.00 +0.100 C ATOM 32 C LIG 1 5.270 0.159 1.546 0.00 0.00 +0.100 C BRANCH 27 33 ATOM 33 C LIG 1 7.597 0.333 0.750 0.00 0.00 +0.103 C BRANCH 33 34 ATOM 34 C LIG 1 8.184 -0.958 1.362 0.00 0.00 +0.122 C BRANCH 34 37 ATOM 35 C LIG 1 10.864 -0.191 2.222 0.00 0.00 +0.109 C ATOM 36 C LIG 1 10.668 -0.945 0.929 0.00 0.00 +0.212 C ATOM 37 N LIG 1 9.388 -1.414 0.650 0.00 0.00 -0.304 N ATOM 38 C LIG 1 9.176 -2.104 -0.613 0.00 0.00 +0.132 C ATOM 39 O LIG 1 11.624 -1.135 0.176 0.00 0.00 -0.276 OA ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 11