REMARK Name = BDB018602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.687 1.475 0.154 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.363 2.654 -0.148 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.018 3.813 0.430 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.407 2.649 -1.067 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.795 1.451 -1.673 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.150 0.245 -1.351 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.084 0.269 -0.439 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -4.938 1.768 2.371 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -3.671 1.323 1.635 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -3.841 1.340 0.186 0.00 0.00 -0.304 N ATOM 11 C LIG 1 -3.075 2.087 -0.678 0.00 0.00 +0.152 A ATOM 12 N LIG 1 -3.504 1.901 -1.907 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -4.488 0.940 -1.859 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 -1.919 2.902 -0.219 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -1.462 2.336 1.054 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.394 1.446 1.156 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.310 0.607 2.051 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -4.625 0.548 -0.606 0.00 0.00 +0.184 A ATOM 19 C LIG 1 -2.511 2.255 2.067 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 -5.511 -0.647 -0.161 0.00 0.00 +0.125 A ATOM 21 N LIG 1 -5.607 -1.119 1.126 0.00 0.00 -0.233 NA ATOM 22 C LIG 1 -6.435 -2.137 1.058 0.00 0.00 +0.197 A ATOM 23 N LIG 1 -6.875 -2.343 -0.219 0.00 0.00 -0.350 N ATOM 24 H LIG 1 -7.513 -3.068 -0.519 0.00 0.00 +0.166 HD ATOM 25 C LIG 1 -6.287 -1.399 -1.012 0.00 0.00 +0.115 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 2.571 -1.055 -1.998 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 4.062 -1.341 -1.862 0.00 0.00 +0.074 A ATOM 28 C LIG 1 4.611 -1.855 -0.580 0.00 0.00 +0.011 A ATOM 29 C LIG 1 5.985 -2.077 -0.522 0.00 0.00 +0.050 A ATOM 30 C LIG 1 6.583 -2.557 0.650 0.00 0.00 +0.014 A ATOM 31 C LIG 1 5.798 -2.815 1.772 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.423 -2.595 1.721 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.809 -1.804 -1.710 0.00 0.00 +0.272 A ATOM 34 O LIG 1 8.021 -1.987 -1.705 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 6.141 -1.337 -2.814 0.00 0.00 -0.242 N ATOM 36 H LIG 1 6.693 -1.145 -3.644 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 3.827 -2.118 0.549 0.00 0.00 +0.010 A ATOM 38 N LIG 1 4.805 -1.103 -2.905 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4