REMARK Name = BDB047110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.102 2.217 1.165 0.00 0.00 +0.080 A ATOM 2 C LIG 1 0.946 3.490 1.735 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.202 4.246 1.481 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.210 3.737 0.660 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.084 2.462 0.094 0.00 0.00 +0.068 A ATOM 6 C LIG 1 0.070 1.709 0.349 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.125 1.949 -0.724 0.00 0.00 -0.220 N ATOM 8 N LIG 1 -3.224 2.685 -1.025 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 -4.022 1.959 -1.796 0.00 0.00 -0.133 NA ATOM 10 C LIG 1 -3.428 0.745 -2.000 0.00 0.00 +0.100 A ATOM 11 C LIG 1 -2.228 0.715 -1.323 0.00 0.00 +0.141 A BRANCH 10 12 ATOM 12 C LIG 1 -4.091 -0.309 -2.825 0.00 0.00 +0.162 C BRANCH 12 13 ATOM 13 N LIG 1 -5.316 -0.850 -2.247 0.00 0.00 -0.321 N ATOM 14 H LIG 1 -5.887 -0.137 -1.803 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 -5.919 -1.907 -2.835 0.00 0.00 +0.162 A ATOM 16 N LIG 1 -5.381 -2.743 -3.728 0.00 0.00 -0.063 NA ATOM 17 O LIG 1 -6.364 -3.664 -4.032 0.00 0.00 -0.358 OA ATOM 18 C LIG 1 -7.487 -3.375 -3.324 0.00 0.00 +0.136 A ATOM 19 C LIG 1 -8.639 -4.269 -3.523 0.00 0.00 +0.089 C ATOM 20 C LIG 1 -7.253 -2.268 -2.547 0.00 0.00 +0.090 A ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 23 ATOM 21 N LIG 1 3.238 1.768 2.281 0.00 0.00 -0.281 N ATOM 22 H LIG 1 3.039 2.668 2.710 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 2.302 1.331 1.365 0.00 0.00 +0.252 C ATOM 24 O LIG 1 2.370 0.292 0.715 0.00 0.00 -0.270 OA BRANCH 21 27 ATOM 25 C LIG 1 6.063 -0.670 2.648 0.00 0.00 +0.061 A ATOM 26 C LIG 1 4.865 -0.101 2.187 0.00 0.00 +0.038 A ATOM 27 C LIG 1 4.431 1.133 2.679 0.00 0.00 +0.034 A ATOM 28 C LIG 1 5.213 1.795 3.636 0.00 0.00 +0.023 A ATOM 29 C LIG 1 6.406 1.236 4.099 0.00 0.00 +0.003 A ATOM 30 C LIG 1 6.829 0.003 3.608 0.00 0.00 +0.015 A BRANCH 25 31 ATOM 31 C LIG 1 6.566 -1.978 2.148 0.00 0.00 +0.339 C ATOM 32 O LIG 1 7.485 -2.589 2.669 0.00 0.00 -0.245 OA BRANCH 31 34 ATOM 33 C LIG 1 6.349 -3.576 0.456 0.00 0.00 +0.280 C ATOM 34 O LIG 1 5.890 -2.356 1.036 0.00 0.00 -0.464 OA ENDBRANCH 31 34 ENDBRANCH 25 31 ENDBRANCH 21 27 ENDBRANCH 1 23 BRANCH 2 35 ATOM 35 O LIG 1 1.914 4.020 2.547 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 1.637 4.911 2.832 0.00 0.00 +0.292 HD ENDBRANCH 2 35 TORSDOF 9