REMARK Name = BDB024400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.130 2.130 -0.223 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.350 2.323 1.273 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.689 3.594 1.767 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.897 3.795 3.133 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.776 2.729 4.021 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.454 1.460 3.546 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.246 1.256 2.181 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -1.235 1.554 0.048 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -1.190 2.340 0.681 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.053 1.169 -0.581 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.067 0.218 -1.349 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.954 -0.303 -0.217 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -3.844 -0.746 -0.922 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.622 -0.165 -0.857 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -2.471 0.908 -0.065 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -3.529 1.422 0.680 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -4.782 0.809 0.604 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 -5.702 -3.474 0.292 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -6.571 -2.345 -0.115 0.00 0.00 +0.089 A ATOM 20 C LIG 1 -6.224 -0.982 -0.319 0.00 0.00 +0.048 A ATOM 21 C LIG 1 -7.412 -0.387 -0.685 0.00 0.00 +0.142 A ATOM 22 C LIG 1 -7.821 0.978 -1.071 0.00 0.00 +0.090 C ATOM 23 O LIG 1 -8.399 -1.323 -0.684 0.00 0.00 -0.359 OA ATOM 24 N LIG 1 -7.876 -2.551 -0.330 0.00 0.00 -0.083 NA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.382 1.836 -0.956 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 3.041 2.595 -0.799 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.026 0.569 -0.589 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.138 0.188 -1.598 0.00 0.00 +0.030 C ATOM 29 C LIG 1 3.589 -0.023 -3.016 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 4.901 -1.041 -1.118 0.00 0.00 -0.043 A ATOM 31 C LIG 1 4.281 -2.296 -1.019 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.993 -3.411 -0.569 0.00 0.00 +0.019 A ATOM 33 C LIG 1 6.338 -3.285 -0.210 0.00 0.00 +0.052 A ATOM 34 C LIG 1 6.965 -2.040 -0.304 0.00 0.00 +0.019 A ATOM 35 C LIG 1 6.251 -0.926 -0.754 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 7.070 -4.427 0.254 0.00 0.00 +0.099 C ATOM 37 N LIG 1 7.664 -5.349 0.633 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9