REMARK Name = BDB008148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.264 0.323 -0.392 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.932 -0.638 -0.552 0.00 0.00 +0.021 C ATOM 3 C LIG 1 -1.171 -1.566 0.656 0.00 0.00 +0.025 C ATOM 4 C LIG 1 -2.647 -1.916 0.870 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -3.310 -2.135 -0.421 0.00 0.00 -0.304 N ATOM 6 C LIG 1 -3.304 -0.970 -1.323 0.00 0.00 +0.108 C ATOM 7 C LIG 1 -2.234 0.062 -0.950 0.00 0.00 +0.025 C BRANCH 5 8 ATOM 8 C LIG 1 -4.339 -3.039 -0.477 0.00 0.00 +0.173 C ATOM 9 N LIG 1 -4.825 -3.646 0.548 0.00 0.00 -0.273 NA ATOM 10 H LIG 1 -5.594 -4.249 0.258 0.00 0.00 +0.189 HD BRANCH 8 11 ATOM 11 N LIG 1 -4.809 -3.287 -1.720 0.00 0.00 -0.331 N ATOM 12 H LIG 1 -4.064 -3.303 -2.405 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 -5.371 -4.124 -1.794 0.00 0.00 +0.145 HD ENDBRANCH 8 11 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 15 ATOM 14 C LIG 1 2.661 0.078 -0.947 0.00 0.00 +0.234 C ATOM 15 N LIG 1 1.517 -0.435 -0.370 0.00 0.00 -0.302 N ATOM 16 H LIG 1 1.646 -1.035 0.437 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 2.662 1.087 -1.653 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 3.954 -0.681 -0.589 0.00 0.00 +0.156 C ATOM 19 C LIG 1 4.422 -0.275 0.803 0.00 0.00 +0.038 C BRANCH 18 22 ATOM 20 C LIG 1 6.026 -0.551 -3.749 0.00 0.00 +0.109 C ATOM 21 C LIG 1 5.141 -1.150 -2.688 0.00 0.00 +0.211 C ATOM 22 N LIG 1 4.969 -0.347 -1.583 0.00 0.00 -0.304 N ATOM 23 H LIG 1 5.093 0.648 -1.741 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 4.628 -2.256 -2.816 0.00 0.00 -0.276 OA ENDBRANCH 18 22 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 1 25 ATOM 25 C LIG 1 0.246 1.180 0.897 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -0.511 2.330 0.834 0.00 0.00 -0.303 N ATOM 27 H LIG 1 -1.220 2.385 0.114 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 0.861 0.848 1.912 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -0.768 3.103 2.044 0.00 0.00 +0.156 C ATOM 30 C LIG 1 -0.969 4.574 1.709 0.00 0.00 +0.038 C BRANCH 29 31 ATOM 31 C LIG 1 -2.029 2.544 2.727 0.00 0.00 +0.231 C ATOM 32 O LIG 1 -2.887 1.891 2.138 0.00 0.00 -0.274 OA ATOM 33 N LIG 1 -2.190 2.875 4.043 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -2.968 2.424 4.511 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -1.389 3.103 4.616 0.00 0.00 +0.145 HD ENDBRANCH 29 31 ENDBRANCH 26 29 ENDBRANCH 1 25 TORSDOF 9