REMARK Name = BDB017444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.015 -0.333 -1.482 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.998 0.597 -1.081 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.141 0.203 -1.762 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -3.369 0.868 -1.654 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -3.467 1.970 -0.784 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.312 2.377 -0.094 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.770 -0.900 -2.477 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -2.352 -1.463 -3.086 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.085 1.709 -0.224 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -0.487 -1.257 -2.320 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.774 2.713 -0.625 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -6.032 2.054 -0.097 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -6.175 0.615 0.313 0.00 0.00 -0.009 A ATOM 14 C LIG 1 -7.455 0.188 -0.070 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -7.918 -1.094 0.132 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -7.052 -1.991 0.762 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -5.780 -1.587 1.214 0.00 0.00 +0.025 A ATOM 18 N LIG 1 -8.139 1.243 -0.676 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -9.080 1.204 -1.035 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -5.331 -0.285 0.949 0.00 0.00 +0.029 A ATOM 21 C LIG 1 -7.368 2.390 -0.721 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -7.682 3.478 -1.176 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -5.301 3.050 0.757 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 N LIG 1 -4.891 -2.542 1.724 0.00 0.00 -0.358 N ATOM 25 H LIG 1 -4.131 -2.150 2.273 0.00 0.00 +0.142 HD ATOM 26 H LIG 1 -5.339 -3.326 2.187 0.00 0.00 +0.142 HD ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 30 ATOM 27 C LIG 1 4.168 -0.481 -0.285 0.00 0.00 +0.030 A ATOM 28 C LIG 1 3.388 -1.641 -0.416 0.00 0.00 +0.024 A ATOM 29 C LIG 1 2.043 -1.595 -0.810 0.00 0.00 +0.012 A ATOM 30 C LIG 1 1.421 -0.374 -1.080 0.00 0.00 +0.003 A ATOM 31 C LIG 1 2.180 0.792 -0.970 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.526 0.733 -0.577 0.00 0.00 +0.024 A BRANCH 27 37 ATOM 33 C LIG 1 9.460 -1.531 0.636 0.00 0.00 +0.105 C ATOM 34 N LIG 1 8.370 -0.617 0.962 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 7.879 0.062 -0.257 0.00 0.00 +0.103 C ATOM 36 C LIG 1 6.426 0.580 -0.154 0.00 0.00 +0.120 C ATOM 37 N LIG 1 5.495 -0.532 0.104 0.00 0.00 -0.327 N ATOM 38 C LIG 1 6.051 -1.700 0.807 0.00 0.00 +0.120 C ATOM 39 C LIG 1 7.271 -1.303 1.673 0.00 0.00 +0.103 C ENDBRANCH 27 37 ENDBRANCH 1 30 TORSDOF 4