REMARK Name = BDB032007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.587 0.227 -0.367 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.604 -0.604 0.202 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.032 -1.822 0.920 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.341 -1.514 2.390 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.037 -2.965 0.749 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.673 -2.564 1.260 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.250 -1.235 0.701 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.875 -0.901 0.701 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.182 -1.651 1.145 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.274 -0.951 0.889 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.938 0.293 0.375 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.435 0.318 0.206 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.328 1.256 -0.304 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.692 0.926 -0.294 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.186 -0.295 0.193 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.400 1.220 -1.060 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.863 1.387 0.093 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.582 2.646 0.931 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.635 3.736 0.691 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.811 4.029 -0.807 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.029 2.777 -1.660 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.967 1.711 -1.403 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.949 3.381 1.360 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.019 3.164 0.818 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.842 3.321 2.701 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.741 3.071 3.003 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.898 0.608 -0.628 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.856 -0.198 -0.074 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.671 -1.458 1.162 0.00 0.00 +0.214 C BRANCH 29 30 ATOM 30 C LIG 1 -3.579 -1.533 -0.054 0.00 0.00 +0.033 A ATOM 31 C LIG 1 -3.255 -2.367 -1.141 0.00 0.00 +0.126 A ATOM 32 C LIG 1 -4.090 -2.457 -2.262 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -5.255 -1.696 -2.322 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -5.587 -0.874 -1.254 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -6.715 -0.154 -1.306 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.773 -0.792 -0.128 0.00 0.00 +0.048 A BRANCH 31 37 ATOM 37 O LIG 1 -2.147 -3.167 -1.039 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -1.205 -2.931 -2.085 0.00 0.00 +0.277 C ENDBRANCH 31 37 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -3.207 -0.625 2.196 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -2.620 -0.770 2.960 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 8