REMARK Name = BDB037348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.741 -0.127 -0.941 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.670 -0.043 -0.916 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.645 -0.410 0.139 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -2.813 0.587 0.114 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -3.276 1.004 -1.305 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -2.313 1.134 -2.327 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.462 1.319 -1.473 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.028 0.619 -2.075 0.00 0.00 +0.135 A ATOM 9 N LIG 1 0.138 0.646 -2.844 0.00 0.00 -0.218 N ATOM 10 N LIG 1 1.229 0.415 -2.063 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.999 -1.876 -0.094 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -2.629 -2.346 -1.261 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.949 -3.698 -1.405 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.655 -4.589 -0.382 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -2.965 -5.883 -0.525 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.047 -4.154 0.786 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.721 -2.804 0.929 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 0.333 0.725 -4.247 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -0.598 0.172 -5.131 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.378 0.235 -6.509 0.00 0.00 +0.002 A ATOM 21 C LIG 1 0.783 0.826 -7.005 0.00 0.00 +0.000 A ATOM 22 C LIG 1 1.737 1.337 -6.126 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.522 1.275 -4.748 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.990 0.163 0.879 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -4.887 0.351 0.437 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -3.938 -0.013 2.240 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -2.902 0.087 2.887 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.230 -0.305 2.917 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.389 0.083 4.257 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -6.592 -0.170 4.935 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -7.630 -0.823 4.251 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.465 -1.231 2.926 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.266 -0.976 2.258 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -6.792 0.280 6.365 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -7.603 1.373 6.452 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -5.634 0.618 6.995 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -7.372 -0.678 7.143 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -2.684 1.992 -3.455 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -3.732 1.384 -4.383 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 1.662 -0.684 0.096 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 3.047 0.861 1.551 0.00 0.00 +0.241 C ATOM 42 N LIG 1 1.873 0.297 1.144 0.00 0.00 -0.306 N ATOM 43 H LIG 1 1.120 0.463 1.798 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 3.094 1.460 2.622 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 4.221 1.274 -0.534 0.00 0.00 +0.019 C ATOM 46 C LIG 1 4.247 0.713 0.688 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 5.381 -0.112 1.232 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 6.409 0.629 1.968 0.00 0.00 -0.293 NA ATOM 49 C LIG 1 7.316 -0.266 2.713 0.00 0.00 +0.116 C ATOM 50 C LIG 1 8.657 0.421 3.049 0.00 0.00 +0.135 C ATOM 51 O LIG 1 8.478 1.879 3.250 0.00 0.00 -0.371 OA ATOM 52 C LIG 1 8.511 1.969 1.770 0.00 0.00 +0.135 C ATOM 53 C LIG 1 9.474 0.762 1.783 0.00 0.00 +0.065 C ATOM 54 C LIG 1 7.138 1.625 1.158 0.00 0.00 +0.116 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11