REMARK Name = BDB024289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.972 -1.349 0.704 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.713 -2.848 0.588 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.837 -3.462 -0.673 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.609 -4.830 -0.831 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.267 -5.609 0.271 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.164 -5.024 1.530 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.393 -3.655 1.691 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.322 -0.708 1.955 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.923 -0.164 1.941 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.136 0.345 2.791 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.957 -0.626 3.018 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.985 -0.118 1.046 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.942 0.749 1.436 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.041 0.887 0.651 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.261 0.182 -0.524 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.267 -0.722 -0.893 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.122 -0.879 -0.100 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.452 0.363 -1.333 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.664 0.845 -0.880 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.507 0.841 -1.955 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.889 1.255 -1.978 0.00 0.00 +0.172 C ATOM 22 N LIG 1 6.933 0.389 -3.082 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 5.686 0.097 -2.703 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.444 -1.130 0.733 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.755 -1.406 1.669 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.804 0.272 0.495 0.00 0.00 +0.090 C BRANCH 26 28 ATOM 27 C LIG 1 -5.018 0.103 1.785 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.337 0.488 0.464 0.00 0.00 +0.033 C BRANCH 28 29 ATOM 29 C LIG 1 -4.649 1.927 0.076 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -5.135 2.217 -1.205 0.00 0.00 +0.128 A ATOM 31 F LIG 1 -5.329 1.228 -2.089 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.421 3.521 -1.602 0.00 0.00 +0.057 A ATOM 33 C LIG 1 -5.218 4.574 -0.710 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -4.726 4.309 0.572 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.441 2.997 0.962 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 C LIG 1 -5.509 5.920 -1.107 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.741 7.010 -1.428 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9