REMARK Name = BDB004224 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.695 -1.259 -0.537 0.00 0.00 +0.004 C ATOM 2 C LIG 1 -0.818 -1.604 -0.610 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -1.115 -0.086 -0.810 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -1.414 0.706 0.471 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.844 0.432 0.945 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -3.797 0.726 -0.143 0.00 0.00 -0.330 N ATOM 7 C LIG 1 -3.556 -0.045 -1.373 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -2.147 0.243 -1.893 0.00 0.00 +0.026 C ATOM 9 C LIG 1 0.355 0.046 -1.306 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.129 0.811 0.308 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -5.489 1.836 1.196 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -6.798 1.976 1.673 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -7.802 1.087 1.273 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -7.457 0.069 0.375 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.145 -0.062 -0.099 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -9.229 1.269 1.783 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -10.121 2.097 0.820 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -11.546 2.123 1.390 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -12.131 0.835 1.597 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -11.323 -0.096 2.191 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -11.984 -1.230 2.673 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -11.260 -2.230 3.309 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -9.888 -2.112 3.475 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.228 -0.985 2.982 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -9.932 0.025 2.300 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -10.065 1.733 -0.664 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -10.777 0.663 -1.224 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -10.680 0.370 -2.588 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -9.864 1.137 -3.414 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -9.142 2.198 -2.878 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -9.242 2.493 -1.516 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -11.867 -3.348 3.799 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -12.817 -3.295 3.599 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 1.592 -2.302 -1.202 0.00 0.00 +0.088 C BRANCH 34 45 ATOM 35 N LIG 1 11.377 0.268 0.613 0.00 0.00 -0.282 N ATOM 36 C LIG 1 11.092 0.594 -0.706 0.00 0.00 +0.248 C ATOM 37 O LIG 1 11.850 1.000 -1.565 0.00 0.00 -0.270 OA ATOM 38 C LIG 1 9.662 0.339 -0.905 0.00 0.00 +0.045 A ATOM 39 C LIG 1 9.153 -0.218 0.261 0.00 0.00 -0.016 A ATOM 40 C LIG 1 7.814 -0.571 0.349 0.00 0.00 +0.032 A ATOM 41 C LIG 1 6.964 -0.367 -0.757 0.00 0.00 +0.073 A ATOM 42 N LIG 1 5.593 -0.706 -0.708 0.00 0.00 -0.318 N ATOM 43 C LIG 1 4.990 -0.755 -2.067 0.00 0.00 +0.125 C ATOM 44 C LIG 1 3.447 -0.858 -1.971 0.00 0.00 +0.110 C ATOM 45 N LIG 1 3.033 -2.029 -1.180 0.00 0.00 -0.299 NA ATOM 46 C LIG 1 3.617 -1.955 0.170 0.00 0.00 +0.103 C ATOM 47 C LIG 1 5.389 0.505 -2.832 0.00 0.00 +0.252 C ATOM 48 O LIG 1 6.801 0.542 -3.057 0.00 0.00 -0.488 OA ATOM 49 C LIG 1 5.163 -1.828 0.152 0.00 0.00 +0.121 C ATOM 50 C LIG 1 7.526 0.250 -1.921 0.00 0.00 +0.142 A ATOM 51 C LIG 1 8.880 0.584 -2.010 0.00 0.00 +0.061 A ATOM 52 C LIG 1 10.240 -0.358 1.273 0.00 0.00 +0.144 C BRANCH 35 59 ATOM 53 O LIG 1 16.838 -0.231 1.169 0.00 0.00 -0.275 OA ATOM 54 C LIG 1 15.623 -0.071 1.100 0.00 0.00 +0.219 C ATOM 55 N LIG 1 14.799 -1.086 0.684 0.00 0.00 -0.255 N ATOM 56 H LIG 1 15.257 -1.945 0.413 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 13.423 -1.120 0.702 0.00 0.00 +0.240 C ATOM 58 O LIG 1 12.826 -2.169 0.463 0.00 0.00 -0.273 OA ATOM 59 C LIG 1 12.724 0.168 1.165 0.00 0.00 +0.163 C ATOM 60 C LIG 1 13.601 1.387 0.880 0.00 0.00 +0.041 C ATOM 61 C LIG 1 14.952 1.204 1.554 0.00 0.00 +0.098 C ENDBRANCH 35 59 ENDBRANCH 34 45 ENDBRANCH 1 34 TORSDOF 7