REMARK Name = BDB027307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.303 -0.653 -0.043 0.00 0.00 +0.072 A ATOM 2 N LIG 1 1.863 -1.835 0.435 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.539 -2.093 0.320 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.417 -1.238 -0.240 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.051 -0.003 -0.707 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.433 0.270 -0.621 0.00 0.00 +0.035 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 7.955 0.529 0.609 0.00 0.00 +0.044 C ATOM 8 C LIG 1 6.499 0.233 0.406 0.00 0.00 -0.050 A ATOM 9 C LIG 1 6.099 -0.938 -0.248 0.00 0.00 +0.007 A ATOM 10 C LIG 1 4.737 -1.250 -0.425 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.381 -2.528 -1.140 0.00 0.00 +0.044 C ATOM 12 C LIG 1 3.745 -0.384 0.092 0.00 0.00 +0.003 A ATOM 13 C LIG 1 4.168 0.782 0.762 0.00 0.00 +0.010 A ATOM 14 C LIG 1 5.523 1.085 0.920 0.00 0.00 +0.004 A ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 N LIG 1 -1.736 -1.657 -0.304 0.00 0.00 -0.327 N ATOM 16 C LIG 1 -2.650 -1.237 0.772 0.00 0.00 +0.129 C ATOM 17 C LIG 1 -3.840 -2.250 0.864 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -4.601 -2.228 -0.491 0.00 0.00 +0.028 C ATOM 19 C LIG 1 -3.776 -1.731 -1.687 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -2.288 -2.053 -1.603 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 -3.272 -3.614 1.042 0.00 0.00 -0.321 NA ATOM 22 H LIG 1 -2.832 -3.691 1.960 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -2.490 -3.708 0.387 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 -4.750 -1.860 2.073 0.00 0.00 +0.202 C BRANCH 24 25 ATOM 25 C LIG 1 -5.989 -2.738 2.307 0.00 0.00 +0.371 C ATOM 26 F LIG 1 -5.667 -4.022 2.572 0.00 0.00 -0.206 F ATOM 27 F LIG 1 -6.791 -2.730 1.212 0.00 0.00 -0.206 F ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 O LIG 1 -5.141 -0.473 1.968 0.00 0.00 -0.384 OA ATOM 29 H LIG 1 -5.925 -0.432 1.387 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 17 24 ENDBRANCH 4 15 BRANCH 5 30 ATOM 30 C LIG 1 -0.852 1.037 -1.325 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -0.782 2.307 -0.623 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -0.188 3.450 -1.081 0.00 0.00 +0.166 A ATOM 33 C LIG 1 -0.417 4.392 -0.091 0.00 0.00 +0.147 A ATOM 34 C LIG 1 0.101 5.678 -0.313 0.00 0.00 +0.147 A ATOM 35 N LIG 1 0.799 5.907 -1.449 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 0.941 4.892 -2.330 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -1.126 3.839 0.957 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 0.482 3.627 -2.232 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -1.331 2.588 0.601 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 -0.049 6.725 0.587 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -0.263 6.418 1.530 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 0.663 7.434 0.471 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9