REMARK Name = BDB018604 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.965 -0.193 0.121 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.773 -0.844 -1.094 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.255 -1.685 -1.270 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.646 -0.624 -2.154 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.738 0.231 -1.989 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.976 0.859 -0.755 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.071 0.648 0.297 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -3.264 -0.968 -1.162 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -3.307 0.253 -0.243 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -4.090 -0.019 0.949 0.00 0.00 -0.303 N ATOM 11 C LIG 1 -3.533 -0.358 2.156 0.00 0.00 +0.152 A ATOM 12 N LIG 1 -4.498 -0.542 3.031 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -5.693 -0.315 2.392 0.00 0.00 -0.126 NA ATOM 14 C LIG 1 -2.066 -0.438 2.388 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -1.294 -0.210 1.161 0.00 0.00 -0.288 N ATOM 16 C LIG 1 0.078 -0.441 1.270 0.00 0.00 +0.250 C ATOM 17 O LIG 1 0.613 -0.824 2.310 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -5.444 0.008 1.136 0.00 0.00 +0.200 A ATOM 19 C LIG 1 -1.892 0.695 0.168 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 -6.436 0.328 0.155 0.00 0.00 +0.178 A ATOM 21 N LIG 1 -7.798 0.286 0.355 0.00 0.00 -0.331 N ATOM 22 C LIG 1 -8.489 -0.086 1.567 0.00 0.00 +0.150 C ATOM 23 C LIG 1 -8.407 0.659 -0.813 0.00 0.00 +0.107 A ATOM 24 C LIG 1 -7.379 0.916 -1.687 0.00 0.00 +0.131 A ATOM 25 N LIG 1 -6.167 0.710 -1.081 0.00 0.00 -0.233 NA ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 4.167 1.771 -0.562 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 5.485 1.152 -1.011 0.00 0.00 +0.074 A ATOM 28 C LIG 1 6.164 0.142 -0.158 0.00 0.00 +0.011 A ATOM 29 C LIG 1 7.359 -0.393 -0.637 0.00 0.00 +0.050 A ATOM 30 C LIG 1 8.060 -1.353 0.104 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.561 -1.780 1.333 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.367 -1.249 1.818 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.880 0.062 -1.935 0.00 0.00 +0.272 A ATOM 34 O LIG 1 8.928 -0.379 -2.395 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 7.128 1.003 -2.593 0.00 0.00 -0.242 N ATOM 36 H LIG 1 7.475 1.330 -3.489 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.668 -0.289 1.079 0.00 0.00 +0.010 A ATOM 38 N LIG 1 5.958 1.542 -2.159 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4