REMARK Name = BDB054895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.981 -1.520 1.792 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.387 -1.381 1.512 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.204 -0.532 2.271 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.640 0.173 3.333 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.721 0.040 3.625 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.530 -0.795 2.855 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.554 -0.438 1.878 0.00 0.00 -0.281 N ATOM 8 H LIG 1 2.822 -1.032 1.099 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 3.536 0.382 2.392 0.00 0.00 +0.250 C ATOM 10 O LIG 1 3.406 1.125 3.359 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 4.831 0.298 1.706 0.00 0.00 +0.067 A ATOM 12 C LIG 1 5.145 -0.070 0.399 0.00 0.00 +0.117 A ATOM 13 N LIG 1 6.505 -0.042 0.258 0.00 0.00 -0.234 N ATOM 14 N LIG 1 7.173 -0.404 -0.848 0.00 0.00 -0.155 NA ATOM 15 C LIG 1 6.410 -0.783 -1.823 0.00 0.00 +0.245 A ATOM 16 N LIG 1 5.039 -0.816 -1.828 0.00 0.00 -0.217 NA ATOM 17 C LIG 1 7.083 0.408 1.409 0.00 0.00 +0.114 A ATOM 18 C LIG 1 4.397 -0.457 -0.758 0.00 0.00 +0.144 A ATOM 19 C LIG 1 6.081 0.640 2.320 0.00 0.00 +0.035 A BRANCH 18 20 ATOM 20 N LIG 1 3.033 -0.477 -0.821 0.00 0.00 -0.341 N ATOM 21 H LIG 1 2.708 -0.642 -1.772 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 2.576 0.346 -0.435 0.00 0.00 +0.144 HD ENDBRANCH 18 20 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 -1.847 -2.388 0.917 0.00 0.00 +0.141 C BRANCH 23 27 ATOM 24 N LIG 1 -2.442 -0.780 -2.329 0.00 0.00 -0.269 N ATOM 25 H LIG 1 -2.024 -0.927 -3.240 0.00 0.00 +0.156 HD ATOM 26 C LIG 1 -1.780 -1.473 -1.358 0.00 0.00 +0.304 C ATOM 27 N LIG 1 -2.421 -1.622 -0.166 0.00 0.00 -0.295 N ATOM 28 H LIG 1 -3.428 -1.610 -0.230 0.00 0.00 +0.151 HD ATOM 29 O LIG 1 -0.686 -1.972 -1.610 0.00 0.00 -0.252 OA BRANCH 24 34 ATOM 30 C LIG 1 -6.735 3.008 -2.356 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -5.628 1.996 -2.325 0.00 0.00 -0.050 A ATOM 32 C LIG 1 -5.187 1.387 -3.503 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.131 0.472 -3.474 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -3.503 0.141 -2.268 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -3.917 0.781 -1.098 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -4.972 1.700 -1.126 0.00 0.00 +0.005 A ENDBRANCH 24 34 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 6