REMARK Name = BDB065274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.703 0.300 -0.732 0.00 0.00 +0.132 A ATOM 2 N LIG 1 -0.312 0.956 -0.049 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.355 0.049 0.113 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -0.909 -1.115 -0.494 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -1.727 -2.253 -0.522 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -2.996 -2.192 0.071 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -3.430 -1.005 0.675 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.621 0.138 0.709 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.342 -0.943 -1.002 0.00 0.00 -0.230 NA ENDROOT BRANCH 1 11 ATOM 10 N LIG 1 2.966 -0.207 -1.511 0.00 0.00 -0.257 N ATOM 11 C LIG 1 2.052 0.860 -1.112 0.00 0.00 +0.151 C ATOM 12 C LIG 1 1.996 1.750 -2.345 0.00 0.00 +0.077 C ATOM 13 C LIG 1 2.132 0.772 -3.495 0.00 0.00 +0.254 C ATOM 14 F LIG 1 0.898 0.347 -3.874 0.00 0.00 -0.236 F ATOM 15 C LIG 1 2.996 -0.328 -2.912 0.00 0.00 +0.255 C ATOM 16 O LIG 1 3.607 -1.140 -3.592 0.00 0.00 -0.272 OA BRANCH 10 21 ATOM 17 C LIG 1 4.962 -2.749 1.177 0.00 0.00 +0.251 A ATOM 18 C LIG 1 4.116 -1.773 1.678 0.00 0.00 +0.186 A ATOM 19 F LIG 1 3.931 -1.619 2.998 0.00 0.00 -0.200 F ATOM 20 C LIG 1 3.448 -0.929 0.795 0.00 0.00 +0.068 A ATOM 21 C LIG 1 3.628 -1.068 -0.586 0.00 0.00 +0.058 A ATOM 22 C LIG 1 4.498 -2.090 -0.986 0.00 0.00 +0.138 A ATOM 23 N LIG 1 5.173 -2.922 -0.144 0.00 0.00 -0.217 NA BRANCH 17 25 ATOM 24 C LIG 1 6.411 -4.562 1.475 0.00 0.00 +0.279 C ATOM 25 O LIG 1 5.612 -3.556 2.089 0.00 0.00 -0.478 OA ENDBRANCH 17 25 ENDBRANCH 10 21 ENDBRANCH 1 11 BRANCH 6 26 ATOM 26 C LIG 1 -3.858 -3.354 0.040 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -4.383 -3.981 1.149 0.00 0.00 +0.142 A ATOM 28 C LIG 1 -4.294 -3.766 2.606 0.00 0.00 +0.090 C ATOM 29 O LIG 1 -5.140 -5.038 0.749 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 -5.115 -5.134 -0.629 0.00 0.00 -0.083 NA ATOM 31 C LIG 1 -4.340 -4.127 -1.051 0.00 0.00 +0.088 A ATOM 32 C LIG 1 -4.095 -3.936 -2.500 0.00 0.00 +0.070 C ENDBRANCH 6 26 BRANCH 2 33 ATOM 33 C LIG 1 -0.420 2.342 0.412 0.00 0.00 +0.089 C ATOM 34 C LIG 1 -1.177 3.216 -0.610 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.898 4.716 -0.445 0.00 0.00 +0.033 C ATOM 36 C LIG 1 -0.675 5.097 1.021 0.00 0.00 +0.118 C ATOM 37 C LIG 1 0.562 4.374 1.582 0.00 0.00 +0.033 C ATOM 38 C LIG 1 0.862 3.035 0.887 0.00 0.00 +0.027 C BRANCH 36 39 ATOM 39 O LIG 1 -1.795 4.690 1.817 0.00 0.00 -0.380 OA ATOM 40 C LIG 1 -2.896 5.589 1.746 0.00 0.00 +0.194 C ENDBRANCH 36 39 ENDBRANCH 2 33 TORSDOF 6