REMARK Name = BDB024443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.994 -1.782 -1.468 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.248 -2.694 -0.275 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.731 -3.995 -0.496 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.983 -4.856 0.573 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.765 -4.426 1.880 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.304 -3.134 2.119 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.053 -2.271 1.051 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.188 -0.778 -1.311 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.353 -1.367 -0.869 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.351 -2.350 -0.627 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.071 0.406 -1.632 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.596 -0.778 -0.644 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.518 -1.647 -0.183 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.762 -1.165 0.070 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.151 0.157 -0.113 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.173 1.029 -0.594 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.883 0.560 -0.862 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.505 0.591 0.176 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.886 1.885 0.469 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.233 1.852 0.688 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.086 2.964 1.030 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.764 0.624 0.562 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.715 -0.140 0.251 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.218 -1.097 -1.967 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.897 -0.435 -2.680 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.935 -0.334 -0.936 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -4.056 0.543 -1.548 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -5.120 -0.294 -2.270 0.00 0.00 +0.014 C BRANCH 27 33 ATOM 29 C LIG 1 -6.361 3.921 2.459 0.00 0.00 +0.088 C ATOM 30 C LIG 1 -5.743 3.030 1.428 0.00 0.00 +0.126 A ATOM 31 N LIG 1 -5.019 3.611 0.455 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 -4.498 2.788 -0.477 0.00 0.00 +0.118 A ATOM 33 C LIG 1 -4.676 1.419 -0.486 0.00 0.00 -0.007 A ATOM 34 C LIG 1 -5.439 0.935 0.558 0.00 0.00 +0.118 A ATOM 35 N LIG 1 -5.983 1.710 1.518 0.00 0.00 -0.240 NA ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8