REMARK Name = BDB004993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.722 -1.735 -0.655 0.00 0.00 +0.065 A ATOM 2 C LIG 1 0.575 -1.449 0.106 0.00 0.00 +0.149 A ATOM 3 F LIG 1 0.576 -0.391 0.933 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -0.600 -2.209 0.007 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.629 -3.300 -0.871 0.00 0.00 +0.008 A ATOM 6 C LIG 1 0.501 -3.624 -1.615 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.663 -2.855 -1.499 0.00 0.00 +0.026 A ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 2.943 -1.071 -0.552 0.00 0.00 -0.313 N ATOM 9 H LIG 1 3.460 -1.043 -1.425 0.00 0.00 +0.149 HD BRANCH 8 10 ATOM 10 C LIG 1 3.138 0.147 0.201 0.00 0.00 +0.232 C BRANCH 10 14 ATOM 11 C LIG 1 7.413 0.897 0.475 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.830 -0.194 1.121 0.00 0.00 +0.046 A ATOM 13 C LIG 1 5.455 -0.427 1.029 0.00 0.00 +0.011 A ATOM 14 C LIG 1 4.630 0.431 0.284 0.00 0.00 -0.001 A ATOM 15 C LIG 1 5.227 1.523 -0.365 0.00 0.00 +0.011 A ATOM 16 C LIG 1 6.606 1.755 -0.270 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 9.401 2.116 0.022 0.00 0.00 +0.277 C ATOM 18 O LIG 1 8.765 1.009 0.647 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 10 14 BRANCH 10 19 ATOM 19 O LIG 1 2.466 1.191 -0.472 0.00 0.00 -0.370 OA ATOM 20 H LIG 1 1.527 0.959 -0.380 0.00 0.00 +0.212 HD ENDBRANCH 10 19 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 21 ATOM 21 C LIG 1 -1.821 -1.829 0.804 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 N LIG 1 -2.667 -0.966 -0.013 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.881 -1.394 -0.908 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.873 -0.558 0.598 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.747 0.301 -0.101 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -5.943 0.653 0.554 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -6.839 1.498 -0.136 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -6.545 1.982 -1.425 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -5.356 1.644 -2.052 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -6.201 0.190 1.798 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.286 -0.595 2.379 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.464 0.810 -1.393 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -4.136 -0.992 1.840 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -8.150 1.944 0.433 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -8.911 2.669 -0.198 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -8.494 1.525 1.684 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -9.370 1.831 2.081 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -7.870 0.934 2.226 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 9