REMARK Name = BDB051385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.097 -1.910 -0.044 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.931 -1.887 -0.994 0.00 0.00 +0.247 C ATOM 3 O LIG 1 1.051 -2.721 -1.890 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.930 -0.809 -1.008 0.00 0.00 +0.037 A ATOM 5 C LIG 1 3.010 -0.838 -0.126 0.00 0.00 +0.020 A ATOM 6 C LIG 1 3.990 0.166 -0.179 0.00 0.00 -0.005 A ATOM 7 C LIG 1 3.906 1.166 -1.168 0.00 0.00 +0.123 A ATOM 8 C LIG 1 2.845 1.152 -2.080 0.00 0.00 +0.046 A ATOM 9 C LIG 1 1.864 0.161 -2.009 0.00 0.00 +0.016 A BRANCH 7 10 ATOM 10 O LIG 1 4.916 2.092 -1.162 0.00 0.00 -0.495 OA ATOM 11 C LIG 1 4.917 3.070 -2.196 0.00 0.00 +0.277 C ENDBRANCH 7 10 BRANCH 6 12 ATOM 12 C LIG 1 5.141 0.125 0.801 0.00 0.00 +0.039 C BRANCH 12 13 ATOM 13 C LIG 1 6.360 -0.595 0.215 0.00 0.00 +0.007 C BRANCH 13 14 ATOM 14 C LIG 1 7.554 -0.621 1.169 0.00 0.00 +0.028 C BRANCH 14 15 ATOM 15 C LIG 1 8.159 0.761 1.414 0.00 0.00 +0.159 C BRANCH 15 16 ATOM 16 O LIG 1 9.420 0.664 2.078 0.00 0.00 -0.383 OA ATOM 17 C LIG 1 9.303 0.432 3.474 0.00 0.00 +0.193 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 2 4 BRANCH 1 18 ATOM 18 C LIG 1 -0.375 -0.900 1.014 0.00 0.00 +0.070 C ATOM 19 C LIG 1 0.496 -1.079 2.257 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -0.407 0.553 0.535 0.00 0.00 +0.028 C ENDBRANCH 1 18 BRANCH 1 21 ATOM 21 C LIG 1 -0.900 -3.151 0.029 0.00 0.00 +0.129 C BRANCH 21 22 ATOM 22 C LIG 1 -1.872 -3.428 -1.160 0.00 0.00 +0.097 C BRANCH 22 23 ATOM 23 N LIG 1 -1.210 -4.224 -2.207 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 -0.307 -3.793 -2.437 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -1.786 -4.245 -3.044 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 -2.573 -2.151 -1.708 0.00 0.00 +0.133 C BRANCH 26 27 ATOM 27 O LIG 1 -3.188 -2.435 -2.968 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -2.466 -2.432 -3.627 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -3.659 -1.673 -0.733 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 -4.213 -0.262 -1.028 0.00 0.00 +0.074 C ATOM 31 C LIG 1 -5.288 -0.278 -2.118 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 -5.223 1.648 0.128 0.00 0.00 -0.315 N ATOM 33 H LIG 1 -4.982 2.157 -0.711 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -4.777 0.351 0.261 0.00 0.00 +0.216 C ATOM 35 O LIG 1 -4.807 -0.248 1.333 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 -5.702 2.403 1.269 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 -6.788 3.403 0.878 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 -8.766 1.856 1.320 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.065 2.766 0.325 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 19