REMARK Name = BDB019672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.329 0.485 1.076 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.278 1.413 1.527 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.582 1.433 1.006 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.913 0.491 0.016 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.977 -0.449 -0.448 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -0.686 -0.451 0.099 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.576 2.407 1.489 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -4.298 3.211 0.598 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -5.231 4.122 1.091 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -6.005 4.991 0.146 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -5.479 4.268 2.412 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -4.777 3.489 3.261 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -3.831 2.562 2.855 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 2.054 0.011 0.925 0.00 0.00 -0.306 N ATOM 15 H LIG 1 1.937 -0.208 -0.057 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 1.030 0.516 1.685 0.00 0.00 +0.244 C ATOM 17 O LIG 1 1.200 0.999 2.799 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.427 0.070 1.376 0.00 0.00 +0.160 C BRANCH 18 21 ATOM 19 C LIG 1 6.583 -1.227 -0.270 0.00 0.00 +0.123 A ATOM 20 C LIG 1 5.713 -0.705 0.684 0.00 0.00 +0.070 A ATOM 21 C LIG 1 4.375 -0.516 0.352 0.00 0.00 +0.062 A ATOM 22 N LIG 1 3.881 -0.816 -0.881 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 4.749 -1.320 -1.784 0.00 0.00 +0.114 A ATOM 24 C LIG 1 6.093 -1.542 -1.531 0.00 0.00 +0.065 A BRANCH 19 26 ATOM 25 C LIG 1 8.803 -1.907 -0.784 0.00 0.00 +0.277 C ATOM 26 O LIG 1 7.875 -1.376 0.153 0.00 0.00 -0.495 OA ENDBRANCH 19 26 ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 27 ATOM 27 C LIG 1 -2.367 -1.475 -1.485 0.00 0.00 +0.151 C BRANCH 27 28 ATOM 28 N LIG 1 -2.578 -2.757 -0.839 0.00 0.00 -0.352 N ATOM 29 H LIG 1 -3.170 -2.654 -0.017 0.00 0.00 +0.163 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.012 -3.830 -1.533 0.00 0.00 +0.188 C ATOM 31 N LIG 1 -4.000 -4.523 -1.102 0.00 0.00 -0.269 NA ATOM 32 H LIG 1 -4.199 -5.283 -1.754 0.00 0.00 +0.190 HD BRANCH 30 33 ATOM 33 N LIG 1 -2.328 -4.108 -2.657 0.00 0.00 -0.370 N ATOM 34 H LIG 1 -1.338 -3.913 -2.556 0.00 0.00 +0.159 HD ATOM 35 H LIG 1 -2.471 -5.044 -3.014 0.00 0.00 +0.159 HD ENDBRANCH 30 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 9