REMARK Name = BDB035170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.381 -0.900 -0.063 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -4.237 -1.613 1.063 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 -2.926 -1.449 1.358 0.00 0.00 -0.220 N ATOM 4 C LIG 1 -2.340 -0.622 0.402 0.00 0.00 +0.160 A ATOM 5 C LIG 1 -0.939 -0.301 0.515 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.273 -0.837 1.570 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.909 -1.697 2.557 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.213 -1.980 2.427 0.00 0.00 +0.115 A ATOM 9 N LIG 1 -3.240 -0.265 -0.487 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.777 -1.165 -2.089 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.636 -0.767 -0.768 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -6.769 -0.224 -0.166 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.941 -0.116 -0.849 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.957 -0.537 -2.119 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.927 -1.062 -2.786 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -6.769 0.279 1.269 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -6.024 1.546 1.626 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -7.522 1.539 1.635 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -4.896 -2.033 -4.091 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -4.684 -1.740 -2.715 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -0.282 0.600 -0.525 0.00 0.00 +0.074 C BRANCH 21 22 ATOM 22 C LIG 1 1.214 0.796 -0.419 0.00 0.00 -0.043 A ATOM 23 C LIG 1 2.095 -0.102 -1.037 0.00 0.00 +0.004 A ATOM 24 C LIG 1 3.478 0.071 -0.928 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.008 1.133 -0.186 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.125 2.039 0.416 0.00 0.00 +0.012 A ATOM 27 C LIG 1 1.742 1.870 0.308 0.00 0.00 +0.004 A BRANCH 25 28 ATOM 28 C LIG 1 5.450 1.346 -0.054 0.00 0.00 +0.142 A ATOM 29 N LIG 1 6.377 0.408 0.347 0.00 0.00 -0.327 N ATOM 30 C LIG 1 7.605 0.996 0.413 0.00 0.00 +0.120 A ATOM 31 C LIG 1 7.407 2.310 0.027 0.00 0.00 +0.162 A ATOM 32 N LIG 1 6.057 2.508 -0.241 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 8.417 3.414 -0.087 0.00 0.00 +0.436 C ATOM 34 F LIG 1 8.513 3.900 -1.352 0.00 0.00 -0.164 F ATOM 35 F LIG 1 9.666 2.992 0.259 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.129 4.465 0.725 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 6.087 -0.974 0.798 0.00 0.00 +0.089 C ATOM 38 C LIG 1 6.083 -2.140 -0.164 0.00 0.00 +0.027 C ATOM 39 C LIG 1 7.133 -2.062 0.900 0.00 0.00 +0.027 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 8