REMARK Name = BDB050669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.821 -0.814 -0.029 0.00 0.00 +0.173 C ATOM 2 C LIG 1 1.064 -1.477 1.140 0.00 0.00 +0.238 C ATOM 3 O LIG 1 1.228 -1.125 2.309 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.129 -2.452 0.747 0.00 0.00 -0.285 N ATOM 5 C LIG 1 0.567 -3.832 0.992 0.00 0.00 +0.078 C ATOM 6 C LIG 1 0.142 -4.121 2.447 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -1.000 -3.147 2.740 0.00 0.00 +0.034 C ATOM 8 C LIG 1 2.043 -4.179 0.772 0.00 0.00 +0.037 C ATOM 9 C LIG 1 2.499 -4.139 -0.690 0.00 0.00 +0.083 C ATOM 10 N LIG 1 2.298 -2.875 -1.395 0.00 0.00 -0.314 NA ATOM 11 H LIG 1 2.728 -2.949 -2.319 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -1.164 -2.369 1.441 0.00 0.00 +0.162 C ATOM 13 C LIG 1 2.874 -1.718 -0.696 0.00 0.00 +0.112 C ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 2.784 1.470 -0.266 0.00 0.00 +0.230 C ATOM 15 N LIG 1 2.431 0.400 0.521 0.00 0.00 -0.302 N ATOM 16 H LIG 1 2.364 0.514 1.530 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 2.713 1.440 -1.494 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 3.285 2.700 0.527 0.00 0.00 +0.137 C ATOM 19 C LIG 1 2.098 3.418 1.162 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 5.335 3.172 -0.691 0.00 0.00 +0.101 C ATOM 21 N LIG 1 3.998 3.647 -0.358 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 3.455 3.713 -1.225 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 12 23 ATOM 23 C LIG 1 -1.837 -0.990 1.566 0.00 0.00 +0.234 C ATOM 24 N LIG 1 -1.742 -0.219 0.420 0.00 0.00 -0.303 N ATOM 25 H LIG 1 -1.426 -0.693 -0.414 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 -2.525 -0.676 2.535 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 C LIG 1 -2.591 0.947 0.237 0.00 0.00 +0.134 C BRANCH 27 28 ATOM 28 C LIG 1 -1.897 2.090 -0.501 0.00 0.00 -0.023 A ATOM 29 C LIG 1 -0.876 1.891 -1.444 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -0.292 2.973 -2.108 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -0.723 4.271 -1.848 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.740 4.489 -0.924 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.324 3.409 -0.259 0.00 0.00 +0.006 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -3.908 0.516 -0.405 0.00 0.00 -0.023 A ATOM 35 C LIG 1 -5.022 0.254 0.413 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -6.231 -0.172 -0.139 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.345 -0.351 -1.515 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.249 -0.110 -2.339 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.037 0.315 -1.789 0.00 0.00 +0.006 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 12 23 TORSDOF 7