REMARK Name = BDB055516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.871 -0.503 0.619 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -1.258 -1.768 0.179 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -0.138 -2.606 0.169 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.962 -1.844 0.582 0.00 0.00 +0.016 A ATOM 5 C LIG 1 2.228 -2.465 0.689 0.00 0.00 +0.014 A ATOM 6 C LIG 1 2.371 -3.819 0.385 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.266 -4.562 0.011 0.00 0.00 +0.119 A ATOM 8 C LIG 1 -0.002 -3.988 -0.092 0.00 0.00 +0.072 A ATOM 9 C LIG 1 0.496 -0.526 0.863 0.00 0.00 +0.106 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 1.274 0.585 1.393 0.00 0.00 +0.252 C ATOM 11 N LIG 1 2.288 1.099 0.590 0.00 0.00 -0.295 N ATOM 12 C LIG 1 3.093 2.201 1.115 0.00 0.00 +0.123 C ATOM 13 C LIG 1 4.445 2.319 0.392 0.00 0.00 +0.100 C ATOM 14 N LIG 1 4.348 2.489 -1.068 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 5.150 2.036 -1.505 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 3.098 1.938 -1.617 0.00 0.00 +0.100 C ATOM 17 C LIG 1 2.505 0.760 -0.822 0.00 0.00 +0.123 C ATOM 18 O LIG 1 1.042 1.027 2.516 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 -2.580 -2.130 -0.231 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -2.771 -2.960 -1.347 0.00 0.00 +0.029 A ATOM 21 C LIG 1 -4.063 -3.303 -1.752 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -5.157 -2.816 -1.047 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -6.394 -3.148 -1.439 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -4.986 -1.987 0.054 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -3.697 -1.638 0.463 0.00 0.00 +0.029 A ENDBRANCH 2 19 BRANCH 7 26 ATOM 26 O LIG 1 1.458 -5.890 -0.240 0.00 0.00 -0.507 OA ATOM 27 H LIG 1 0.598 -6.302 -0.424 0.00 0.00 +0.292 HD ENDBRANCH 7 26 BRANCH 1 28 ATOM 28 O LIG 1 -1.771 0.488 0.704 0.00 0.00 -0.438 OA BRANCH 28 31 ATOM 29 C LIG 1 -2.104 2.609 2.565 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -1.608 2.831 1.165 0.00 0.00 -0.008 A ATOM 31 C LIG 1 -1.450 1.756 0.277 0.00 0.00 +0.136 A ATOM 32 C LIG 1 -1.038 1.970 -1.040 0.00 0.00 +0.085 A ATOM 33 C LIG 1 -0.739 3.260 -1.454 0.00 0.00 +0.127 A ATOM 34 F LIG 1 -0.322 3.466 -2.710 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -0.863 4.339 -0.588 0.00 0.00 +0.039 A ATOM 36 C LIG 1 -1.305 4.127 0.719 0.00 0.00 +0.010 A ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 5