REMARK Name = BDB035896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.165 -4.670 0.414 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.785 -3.239 0.673 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.614 -2.688 0.134 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.283 -1.358 0.385 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.023 -0.814 -0.156 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -0.764 -1.716 -1.042 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -0.306 -2.963 -1.201 0.00 0.00 +0.208 A ATOM 8 O LIG 1 -0.347 0.317 0.129 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.133 -0.546 1.142 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.332 -1.061 1.654 0.00 0.00 -0.032 A ATOM 11 O LIG 1 0.826 -3.500 -0.641 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.635 -2.416 1.427 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.019 -1.286 -1.679 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.045 -0.731 -0.894 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.254 -0.252 -1.440 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -4.391 -0.378 -2.835 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.393 -0.940 -3.633 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.209 -1.392 -3.058 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -5.403 0.439 -0.548 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -5.506 0.105 0.983 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -6.481 -1.035 0.610 0.00 0.00 -0.012 C ATOM 22 C LIG 1 -7.609 -1.302 1.588 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -6.835 -0.212 -0.650 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 -5.413 1.997 -0.812 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -4.406 2.892 -0.569 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -3.102 2.642 -0.019 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -4.878 4.104 -0.970 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -6.099 3.972 -1.429 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -6.437 2.643 -1.333 0.00 0.00 -0.134 NA ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 4.287 -0.171 2.425 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.271 0.567 1.630 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 4.711 1.532 0.690 0.00 0.00 +0.088 C ATOM 33 C LIG 1 5.787 2.550 0.247 0.00 0.00 +0.000 C ATOM 34 C LIG 1 5.898 3.720 1.231 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.168 1.896 0.051 0.00 0.00 +0.006 C ATOM 36 C LIG 1 7.038 0.393 -0.148 0.00 0.00 +0.016 C ATOM 37 C LIG 1 6.326 -0.263 1.045 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 5