REMARK Name = BDB034399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.108 1.175 0.631 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -0.878 1.550 1.180 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.526 0.939 -0.696 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.821 0.396 -0.948 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -2.190 0.157 -2.292 0.00 0.00 +0.073 A ATOM 6 C LIG 1 -3.454 -0.349 -2.570 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -4.384 -0.651 -1.564 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -4.020 -0.435 -0.236 0.00 0.00 +0.005 A ATOM 9 N LIG 1 -1.371 0.389 -3.328 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -0.135 0.846 -3.058 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -2.757 0.076 0.067 0.00 0.00 +0.012 A ATOM 12 C LIG 1 0.329 1.118 -1.785 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 -5.751 -1.186 -1.917 0.00 0.00 +0.070 C BRANCH 13 14 ATOM 14 C LIG 1 -6.849 -0.150 -1.809 0.00 0.00 -0.043 A ATOM 15 C LIG 1 -6.971 0.859 -2.780 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -7.974 1.823 -2.673 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -8.854 1.781 -1.599 0.00 0.00 +0.123 A ATOM 18 F LIG 1 -9.817 2.707 -1.498 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -8.751 0.792 -0.628 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -7.749 -0.174 -0.732 0.00 0.00 +0.007 A ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 1.150 1.862 0.906 0.00 0.00 +0.103 C BRANCH 21 22 ATOM 22 C LIG 1 1.395 1.946 2.415 0.00 0.00 +0.034 C BRANCH 22 23 ATOM 23 C LIG 1 1.527 0.592 3.128 0.00 0.00 +0.083 C BRANCH 23 24 ATOM 24 N LIG 1 2.512 -0.345 2.590 0.00 0.00 -0.312 NA ATOM 25 H LIG 1 2.289 -0.557 1.617 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 3.891 0.141 2.673 0.00 0.00 +0.120 C BRANCH 26 29 ATOM 27 C LIG 1 6.752 -1.409 0.625 0.00 0.00 +0.162 A ATOM 28 C LIG 1 5.837 -0.483 1.156 0.00 0.00 +0.163 A ATOM 29 C LIG 1 4.864 -0.857 2.089 0.00 0.00 +0.011 A ATOM 30 C LIG 1 4.838 -2.197 2.506 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.742 -3.128 1.987 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.698 -2.736 1.047 0.00 0.00 +0.049 A BRANCH 27 34 ATOM 33 C LIG 1 8.568 -1.795 -0.860 0.00 0.00 +0.277 C ATOM 34 O LIG 1 7.634 -0.887 -0.288 0.00 0.00 -0.491 OA ENDBRANCH 27 34 BRANCH 28 35 ATOM 35 O LIG 1 5.910 0.823 0.736 0.00 0.00 -0.503 OA ATOM 36 H LIG 1 6.650 0.835 0.096 0.00 0.00 +0.292 HD ENDBRANCH 28 35 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11