REMARK Name = BDB019798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.901 0.371 2.738 0.00 0.00 +0.186 A ATOM 2 C LIG 1 -1.851 -0.440 3.159 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -1.450 -0.439 4.449 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 -2.111 0.360 5.298 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -3.147 1.155 4.994 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -3.530 1.126 3.708 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.180 -1.306 2.272 0.00 0.00 -0.311 N ATOM 8 C LIG 1 0.007 -2.066 2.563 0.00 0.00 +0.118 C ATOM 9 C LIG 1 0.458 -1.766 1.170 0.00 0.00 +0.034 C ATOM 10 C LIG 1 1.741 -1.010 0.982 0.00 0.00 +0.119 C ATOM 11 N LIG 1 2.080 -2.033 -0.006 0.00 0.00 -0.299 N ATOM 12 C LIG 1 3.301 -2.451 -0.472 0.00 0.00 +0.233 C ATOM 13 O LIG 1 3.471 -3.566 -0.973 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 0.910 -2.873 0.271 0.00 0.00 +0.119 C ATOM 15 C LIG 1 -0.835 -1.065 0.893 0.00 0.00 +0.118 C BRANCH 12 16 ATOM 16 C LIG 1 4.453 -1.426 -0.354 0.00 0.00 +0.144 C ATOM 17 C LIG 1 4.289 -0.249 -1.341 0.00 0.00 +0.015 C ATOM 18 C LIG 1 5.424 0.752 -1.054 0.00 0.00 +0.010 C ATOM 19 C LIG 1 6.791 0.049 -1.230 0.00 0.00 +0.007 C ATOM 20 C LIG 1 6.552 -1.438 -1.602 0.00 0.00 +0.057 C ATOM 21 C LIG 1 5.767 -1.513 -2.923 0.00 0.00 +0.019 C ATOM 22 C LIG 1 4.442 -0.755 -2.785 0.00 0.00 +0.007 C ATOM 23 N LIG 1 5.767 -2.106 -0.549 0.00 0.00 -0.302 NA ATOM 24 H LIG 1 5.565 -3.067 -0.846 0.00 0.00 +0.123 HD BRANCH 19 25 ATOM 25 C LIG 1 7.692 0.197 0.009 0.00 0.00 +0.008 C BRANCH 25 26 ATOM 26 C LIG 1 8.188 1.605 0.189 0.00 0.00 -0.011 C ATOM 27 C LIG 1 8.859 1.990 1.481 0.00 0.00 +0.004 C ATOM 28 C LIG 1 7.510 2.557 1.141 0.00 0.00 +0.004 C ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 29 ATOM 29 O LIG 1 -3.365 0.326 1.456 0.00 0.00 -0.450 OA BRANCH 29 31 ATOM 30 C LIG 1 -4.025 1.411 -0.545 0.00 0.00 +0.082 A ATOM 31 C LIG 1 -3.320 1.464 0.674 0.00 0.00 +0.141 A ATOM 32 C LIG 1 -2.580 2.615 0.981 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -2.556 3.690 0.085 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -3.241 3.602 -1.125 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -3.187 4.626 -1.987 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -3.960 2.463 -1.462 0.00 0.00 +0.055 A BRANCH 30 38 ATOM 37 N LIG 1 -6.030 -0.081 -0.673 0.00 0.00 -0.292 N ATOM 38 C LIG 1 -4.676 0.161 -0.957 0.00 0.00 +0.251 C ATOM 39 O LIG 1 -3.933 -0.627 -1.542 0.00 0.00 -0.270 OA BRANCH 37 41 ATOM 40 C LIG 1 -6.656 1.470 1.241 0.00 0.00 +0.028 C ATOM 41 C LIG 1 -7.015 0.891 -0.128 0.00 0.00 +0.070 C ATOM 42 C LIG 1 -7.393 1.979 -1.133 0.00 0.00 +0.028 C ENDBRANCH 37 41 BRANCH 37 43 ATOM 43 C LIG 1 -6.571 -1.412 -1.039 0.00 0.00 +0.070 C ATOM 44 C LIG 1 -6.555 -1.671 -2.547 0.00 0.00 +0.028 C ATOM 45 C LIG 1 -5.902 -2.547 -0.258 0.00 0.00 +0.028 C ENDBRANCH 37 43 ENDBRANCH 30 38 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 9