REMARK Name = BDB034516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.089 -3.009 -0.242 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.969 -1.634 -0.002 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -3.113 -0.853 -0.071 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.273 0.616 0.137 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -4.699 0.831 -0.073 0.00 0.00 -0.279 N ATOM 6 C LIG 1 -5.353 -0.362 -0.377 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -6.531 -0.550 -0.611 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -4.343 -1.424 -0.374 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -4.494 -2.773 -0.620 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -3.346 -3.567 -0.552 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.337 2.170 0.034 0.00 0.00 +0.116 C ATOM 12 C LIG 1 -4.346 3.423 0.408 0.00 0.00 +0.243 C ATOM 13 O LIG 1 -3.133 3.409 0.610 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -5.031 4.623 0.490 0.00 0.00 -0.254 N ATOM 15 H LIG 1 -4.509 5.458 0.714 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.388 4.744 0.271 0.00 0.00 +0.223 C ATOM 17 O LIG 1 -6.942 5.837 0.349 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.064 3.364 -0.071 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -6.297 2.542 -1.161 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -6.654 2.207 0.901 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 -1.065 -3.918 -0.223 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 1.036 -2.875 -0.967 0.00 0.00 +0.097 C ATOM 23 C LIG 1 0.228 -3.474 0.212 0.00 0.00 +0.190 C ATOM 24 C LIG 1 1.029 -4.716 0.607 0.00 0.00 +0.046 C ATOM 25 C LIG 1 1.587 -5.266 -0.702 0.00 0.00 +0.005 C ATOM 26 C LIG 1 1.527 -4.126 -1.719 0.00 0.00 +0.023 C BRANCH 22 29 ATOM 27 C LIG 1 3.992 -1.220 -0.743 0.00 0.00 +0.020 C ATOM 28 C LIG 1 3.304 -2.399 -0.003 0.00 0.00 +0.090 C ATOM 29 N LIG 1 2.010 -1.883 -0.484 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 2.692 -1.182 -1.591 0.00 0.00 +0.090 C BRANCH 27 34 ATOM 31 C LIG 1 5.064 2.512 1.187 0.00 0.00 +0.118 C ATOM 32 C LIG 1 3.837 1.799 1.771 0.00 0.00 +0.032 C ATOM 33 C LIG 1 3.325 0.634 0.919 0.00 0.00 +0.006 C ATOM 34 C LIG 1 4.434 0.012 0.067 0.00 0.00 -0.005 C ATOM 35 C LIG 1 5.037 1.059 -0.890 0.00 0.00 +0.006 C ATOM 36 C LIG 1 5.016 2.486 -0.340 0.00 0.00 +0.032 C BRANCH 31 38 ATOM 37 C LIG 1 6.327 4.488 1.626 0.00 0.00 +0.194 C ATOM 38 O LIG 1 5.058 3.850 1.690 0.00 0.00 -0.380 OA ENDBRANCH 31 38 ENDBRANCH 27 34 ENDBRANCH 22 29 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6