REMARK Name = BDB056153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.639 -0.670 -1.656 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.461 -0.435 -2.620 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.328 0.816 -2.353 0.00 0.00 +0.120 C ATOM 4 N LIG 1 1.880 0.839 -0.979 0.00 0.00 -0.327 N ATOM 5 C LIG 1 1.228 -0.097 -0.036 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.290 -0.143 -0.311 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.284 0.786 -0.902 0.00 0.00 +0.033 A ATOM 8 C LIG 1 3.982 1.839 -0.274 0.00 0.00 -0.029 A ATOM 9 C LIG 1 3.243 3.023 0.289 0.00 0.00 +0.045 C ATOM 10 C LIG 1 5.383 1.793 -0.184 0.00 0.00 +0.018 A ATOM 11 C LIG 1 6.090 0.702 -0.698 0.00 0.00 +0.037 A ATOM 12 C LIG 1 5.407 -0.331 -1.340 0.00 0.00 +0.015 A ATOM 13 C LIG 1 4.014 -0.291 -1.432 0.00 0.00 +0.024 A BRANCH 11 14 ATOM 14 C LIG 1 7.567 0.633 -0.630 0.00 0.00 +0.244 C ATOM 15 N LIG 1 8.207 0.863 0.569 0.00 0.00 -0.308 N ATOM 16 H LIG 1 9.214 0.752 0.502 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 8.210 0.349 -1.637 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 7.622 0.921 1.868 0.00 0.00 +0.073 C ATOM 19 C LIG 1 6.898 -0.256 2.463 0.00 0.00 +0.024 C ATOM 20 C LIG 1 8.237 0.145 3.003 0.00 0.00 +0.024 C ENDBRANCH 15 18 ENDBRANCH 11 14 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 C LIG 1 -1.907 -0.104 -2.140 0.00 0.00 +0.119 C BRANCH 21 33 ATOM 22 C LIG 1 -4.986 0.086 0.131 0.00 0.00 +0.164 A ATOM 23 C LIG 1 -5.300 -1.276 0.266 0.00 0.00 +0.184 A ATOM 24 O LIG 1 -6.422 -1.607 0.987 0.00 0.00 -0.474 OA ATOM 25 C LIG 1 -6.423 -2.945 1.474 0.00 0.00 +0.256 C ATOM 26 C LIG 1 -5.877 -4.024 0.527 0.00 0.00 +0.258 C ATOM 27 N LIG 1 -4.861 -3.596 -0.287 0.00 0.00 -0.279 N ATOM 28 H LIG 1 -4.400 -4.292 -0.855 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 -6.228 -5.201 0.534 0.00 0.00 -0.271 OA ATOM 30 C LIG 1 -7.849 -3.279 1.894 0.00 0.00 +0.062 C ATOM 31 C LIG 1 -4.525 -2.244 -0.384 0.00 0.00 +0.080 A ATOM 32 C LIG 1 -3.435 -1.868 -1.165 0.00 0.00 +0.032 A ATOM 33 C LIG 1 -3.098 -0.513 -1.296 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -3.880 0.456 -0.643 0.00 0.00 +0.054 A BRANCH 22 35 ATOM 35 O LIG 1 -5.805 0.961 0.796 0.00 0.00 -0.489 OA BRANCH 35 37 ATOM 36 C LIG 1 -6.626 3.109 1.413 0.00 0.00 +0.048 C ATOM 37 C LIG 1 -5.566 2.356 0.628 0.00 0.00 +0.226 C ENDBRANCH 35 37 ENDBRANCH 22 35 ENDBRANCH 21 33 ENDBRANCH 1 21 TORSDOF 7