REMARK Name = BDB016731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.890 2.478 0.471 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.409 1.934 -0.736 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.138 1.348 -0.751 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.316 1.281 0.365 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.865 0.605 -0.081 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.784 0.311 -1.391 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.776 1.855 1.565 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.430 0.748 -1.753 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.720 0.612 -2.715 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.050 2.443 1.597 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.242 -1.527 -0.024 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.909 -0.253 0.459 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.612 0.854 0.006 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.530 2.325 0.305 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.258 3.118 0.529 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.646 2.927 -0.517 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.246 1.891 -1.210 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.029 2.032 -1.829 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.941 4.110 -0.550 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.204 2.833 1.679 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.654 0.662 -0.911 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.012 -0.574 -1.405 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.288 -1.682 -0.952 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.737 -3.854 0.017 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.475 -2.539 0.489 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 2.056 0.249 0.692 0.00 0.00 +0.003 A ATOM 27 C LIG 1 3.330 0.392 0.121 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.488 0.057 0.841 0.00 0.00 -0.033 A ATOM 29 C LIG 1 4.355 -0.431 2.149 0.00 0.00 +0.005 A ATOM 30 C LIG 1 3.093 -0.589 2.721 0.00 0.00 +0.001 A ATOM 31 C LIG 1 1.949 -0.253 1.995 0.00 0.00 +0.010 A BRANCH 28 32 ATOM 32 C LIG 1 5.857 0.215 0.215 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.585 -1.056 0.079 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 5.886 -1.984 -0.842 0.00 0.00 +0.113 C ATOM 35 C LIG 1 6.846 -3.017 -1.450 0.00 0.00 +0.175 C ATOM 36 O LIG 1 7.859 -2.417 -2.271 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 8.194 -1.084 -1.862 0.00 0.00 +0.175 C ATOM 38 C LIG 1 7.980 -0.842 -0.360 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 5 26 TORSDOF 5