REMARK Name = BDB043129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.415 0.928 -1.304 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.819 1.405 -1.291 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -3.206 1.469 -2.246 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -3.390 2.392 -0.488 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -4.720 2.813 -0.741 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -5.356 3.776 0.060 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -4.703 4.293 1.171 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.424 3.847 1.478 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.783 2.904 0.663 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -5.465 2.242 -1.894 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -4.899 2.155 -2.983 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 -6.860 1.745 -1.743 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.348 1.258 -0.524 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -8.658 0.784 -0.434 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.479 0.786 -1.560 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.992 1.253 -2.779 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.683 1.727 -2.874 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.402 2.046 -1.602 0.00 0.00 +0.059 C BRANCH 18 22 ATOM 19 C LIG 1 3.513 0.435 -2.504 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.498 0.419 -3.463 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.239 0.952 -3.182 0.00 0.00 +0.007 A ATOM 22 C LIG 1 0.974 1.513 -1.928 0.00 0.00 -0.045 A ATOM 23 C LIG 1 1.995 1.540 -0.970 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.256 1.003 -1.256 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 4.684 -0.139 -2.912 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 5.780 -0.186 -1.994 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 5.679 -1.410 -1.085 0.00 0.00 +0.100 C BRANCH 27 30 ATOM 28 C LIG 1 5.305 -0.856 2.222 0.00 0.00 +0.088 C ATOM 29 C LIG 1 6.472 -1.137 1.367 0.00 0.00 +0.126 A ATOM 30 C LIG 1 6.668 -1.368 0.021 0.00 0.00 +0.086 A ATOM 31 N LIG 1 8.011 -1.559 -0.221 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 8.576 -1.446 0.967 0.00 0.00 +0.228 A ATOM 33 O LIG 1 7.691 -1.181 1.982 0.00 0.00 -0.440 OA BRANCH 32 34 ATOM 34 C LIG 1 9.987 -1.553 1.332 0.00 0.00 +0.037 A ATOM 35 C LIG 1 10.429 -1.386 2.654 0.00 0.00 +0.013 A ATOM 36 C LIG 1 11.786 -1.494 2.974 0.00 0.00 +0.001 A ATOM 37 C LIG 1 12.718 -1.776 1.976 0.00 0.00 +0.000 A ATOM 38 C LIG 1 12.296 -1.945 0.660 0.00 0.00 +0.001 A ATOM 39 C LIG 1 10.939 -1.831 0.340 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 1 40 ATOM 40 C LIG 1 -1.092 0.084 -0.050 0.00 0.00 +0.126 C BRANCH 40 41 ATOM 41 N LIG 1 -2.248 -0.707 0.340 0.00 0.00 -0.313 N ATOM 42 H LIG 1 -3.119 -0.390 -0.078 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -2.279 -1.437 1.499 0.00 0.00 +0.217 C ATOM 44 O LIG 1 -1.293 -1.590 2.216 0.00 0.00 -0.275 OA BRANCH 43 45 ATOM 45 C LIG 1 -3.633 -2.038 1.855 0.00 0.00 +0.089 C ATOM 46 C LIG 1 -4.644 -0.933 2.192 0.00 0.00 +0.093 C ATOM 47 N LIG 1 -5.974 -1.469 2.523 0.00 0.00 -0.315 NA ATOM 48 H LIG 1 -5.894 -2.046 3.361 0.00 0.00 +0.122 HD ATOM 49 C LIG 1 -6.498 -2.294 1.431 0.00 0.00 +0.081 C ATOM 50 C LIG 1 -5.564 -3.455 1.090 0.00 0.00 +0.016 C ATOM 51 C LIG 1 -4.165 -2.951 0.744 0.00 0.00 +0.015 C ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 14