REMARK Name = BDB025275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.872 1.633 0.775 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -3.762 2.369 -0.025 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -5.085 1.917 -0.219 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -6.192 2.428 -0.958 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -7.245 1.539 -0.786 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -6.818 0.527 0.042 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -8.476 1.626 -1.335 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -8.641 2.727 -2.104 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -7.678 3.695 -2.350 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -6.418 3.552 -1.772 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.490 0.722 0.387 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -4.607 -0.034 1.177 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.301 0.438 1.357 0.00 0.00 +0.007 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -7.666 -0.613 0.391 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -7.706 -0.899 1.885 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -7.616 -0.043 2.761 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -7.927 -2.213 2.242 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -7.977 -2.394 3.236 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -8.196 -3.282 1.424 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -8.475 -4.382 1.890 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -8.201 -3.007 -0.059 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -7.268 -1.858 -0.404 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 23 ATOM 23 C LIG 1 -1.457 2.117 0.962 0.00 0.00 +0.139 C BRANCH 23 25 ATOM 24 C LIG 1 -0.330 2.352 -1.226 0.00 0.00 +0.239 C ATOM 25 N LIG 1 -0.604 1.623 -0.089 0.00 0.00 -0.309 N ATOM 26 H LIG 1 -0.388 0.632 -0.123 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 -0.687 3.513 -1.401 0.00 0.00 -0.273 OA BRANCH 24 28 ATOM 28 C LIG 1 0.439 1.557 -2.288 0.00 0.00 +0.255 C BRANCH 28 29 ATOM 29 O LIG 1 1.184 0.457 -1.763 0.00 0.00 -0.368 OA BRANCH 29 30 ATOM 30 C LIG 1 2.463 0.870 -1.275 0.00 0.00 +0.188 C BRANCH 30 31 ATOM 31 C LIG 1 3.173 -0.326 -0.646 0.00 0.00 +0.188 C BRANCH 31 32 ATOM 32 O LIG 1 4.451 0.088 -0.171 0.00 0.00 -0.376 OA BRANCH 32 33 ATOM 33 C LIG 1 5.147 -0.925 0.564 0.00 0.00 +0.178 C BRANCH 33 34 ATOM 34 C LIG 1 5.773 -1.987 -0.347 0.00 0.00 +0.135 C BRANCH 34 36 ATOM 35 C LIG 1 8.015 -1.062 -0.955 0.00 0.00 +0.401 C ATOM 36 N LIG 1 6.738 -1.422 -1.272 0.00 0.00 -0.279 N ATOM 37 H LIG 1 6.400 -0.991 -2.122 0.00 0.00 +0.152 HD ATOM 38 O LIG 1 8.711 -0.435 -1.740 0.00 0.00 -0.226 OA BRANCH 35 39 ATOM 39 O LIG 1 8.378 -1.475 0.281 0.00 0.00 -0.445 OA BRANCH 39 41 ATOM 40 C LIG 1 10.787 -1.874 -0.039 0.00 0.00 +0.055 C ATOM 41 C LIG 1 9.703 -1.187 0.798 0.00 0.00 +0.107 C ATOM 42 C LIG 1 9.942 0.323 0.920 0.00 0.00 +0.055 C ATOM 43 C LIG 1 9.711 -1.797 2.209 0.00 0.00 +0.055 C ENDBRANCH 39 41 ENDBRANCH 35 39 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 13