REMARK Name = BDB016706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.817 1.905 -1.435 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.863 0.597 -1.951 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.688 -0.166 -1.964 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.461 0.312 -1.520 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.551 -0.773 -1.722 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.182 -1.852 -2.209 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.409 1.624 -1.012 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.451 -1.450 -2.363 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.120 -2.112 -2.738 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.581 2.397 -0.985 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.974 -0.617 1.859 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.528 0.509 1.152 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.405 1.183 0.315 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.273 2.394 -0.565 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.063 2.759 -1.401 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.658 2.581 -1.140 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -8.446 1.557 -0.645 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -9.422 1.462 -0.876 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.994 3.475 -1.899 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.422 3.566 -0.169 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.728 0.726 0.217 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -8.203 -0.373 0.899 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.306 -1.052 1.729 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -5.393 -2.370 3.363 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.018 -1.201 2.646 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.853 -0.808 -1.438 0.00 0.00 +0.031 C ATOM 27 C LIG 1 1.710 0.225 -1.509 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.147 0.118 -1.220 0.00 0.00 -0.025 A ATOM 29 C LIG 1 3.783 1.171 -0.552 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.154 1.121 -0.280 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.919 0.018 -0.679 0.00 0.00 -0.033 A ATOM 32 C LIG 1 5.286 -1.026 -1.367 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.915 -0.975 -1.637 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 7.409 -0.030 -0.403 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 7.830 -1.260 0.292 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 9.295 -1.339 0.392 0.00 0.00 +0.085 C ATOM 37 C LIG 1 9.677 -0.543 1.631 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.420 -0.520 2.490 0.00 0.00 +0.017 C ATOM 39 C LIG 1 7.380 -1.295 1.693 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6