REMARK Name = BDB017448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.494 1.548 1.677 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.053 1.447 3.010 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.689 1.248 3.256 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.734 1.168 2.250 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.494 0.970 2.936 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.680 0.891 4.262 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.169 1.275 0.916 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.996 1.092 4.423 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.366 1.098 5.365 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.534 1.473 0.654 0.00 0.00 +0.005 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -8.548 0.381 -2.687 0.00 0.00 +0.138 C ATOM 12 N LIG 1 -7.745 0.292 -1.498 0.00 0.00 -0.273 N ATOM 13 C LIG 1 -6.883 -0.784 -1.206 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -6.272 -0.561 0.041 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -5.398 -1.514 0.547 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -5.133 -2.662 -0.207 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.746 -2.859 -1.454 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.771 0.752 0.573 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -5.953 1.766 1.349 0.00 0.00 +0.040 C ATOM 20 C LIG 1 -7.036 0.959 2.037 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.636 -1.914 -1.967 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -7.744 1.237 -0.479 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -8.384 2.273 -0.398 0.00 0.00 -0.274 OA ENDBRANCH 1 19 BRANCH 5 24 ATOM 24 C LIG 1 0.814 0.829 2.368 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.266 1.406 1.242 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.629 1.230 0.721 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.752 1.219 1.557 0.00 0.00 +0.008 A ATOM 28 C LIG 1 5.037 1.077 1.022 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.223 0.953 -0.360 0.00 0.00 -0.033 A ATOM 30 C LIG 1 4.099 0.984 -1.197 0.00 0.00 +0.005 A ATOM 31 C LIG 1 2.816 1.126 -0.662 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 6.614 0.810 -0.945 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.800 -0.422 -1.730 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 6.636 -1.627 -0.896 0.00 0.00 +0.085 C ATOM 35 C LIG 1 7.275 -2.861 -1.531 0.00 0.00 +0.015 C ATOM 36 C LIG 1 8.783 -2.684 -1.694 0.00 0.00 +0.002 C ATOM 37 C LIG 1 9.181 -1.216 -1.839 0.00 0.00 +0.015 C ATOM 38 C LIG 1 8.064 -0.398 -2.483 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5