REMARK Name = BDB005034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.058 -1.447 -3.034 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -1.338 -0.535 -2.033 0.00 0.00 +0.099 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.029 -1.114 -1.505 0.00 0.00 -0.026 A ATOM 4 C LIG 1 0.977 -0.223 -1.075 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.203 -0.674 -0.562 0.00 0.00 +0.037 A ATOM 6 C LIG 1 2.418 -2.048 -0.472 0.00 0.00 +0.023 A ATOM 7 C LIG 1 1.427 -2.948 -0.875 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.211 -2.487 -1.381 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 3.125 0.320 -0.191 0.00 0.00 -0.251 N ATOM 10 H LIG 1 2.846 1.281 -0.341 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 4.373 0.265 0.379 0.00 0.00 +0.410 C ATOM 12 O LIG 1 4.983 1.310 0.593 0.00 0.00 -0.226 OA BRANCH 11 13 ATOM 13 O LIG 1 4.838 -1.005 0.672 0.00 0.00 -0.411 OA BRANCH 13 14 ATOM 14 C LIG 1 6.138 -1.054 1.188 0.00 0.00 +0.133 A ATOM 15 C LIG 1 7.234 -0.847 0.352 0.00 0.00 +0.046 A ATOM 16 C LIG 1 8.521 -0.963 0.877 0.00 0.00 +0.004 A ATOM 17 C LIG 1 8.699 -1.298 2.221 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.592 -1.520 3.045 0.00 0.00 +0.004 A ATOM 19 C LIG 1 6.303 -1.404 2.526 0.00 0.00 +0.046 A ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 20 ATOM 20 N LIG 1 -2.182 -0.270 -0.865 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -2.547 -1.131 -0.471 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.204 0.686 -0.989 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.033 0.966 0.119 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.048 1.924 -0.075 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.904 2.198 1.014 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.739 1.556 2.256 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.723 0.633 2.444 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -5.177 2.549 -1.268 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -4.309 2.237 -2.236 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -3.875 0.344 1.385 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -3.330 1.338 -2.154 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -7.034 3.177 0.942 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -7.800 3.344 1.885 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -7.203 3.896 -0.204 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.989 4.525 -0.278 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -6.607 3.735 -1.012 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 7