REMARK Name = BDB000856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.007 -1.233 -1.109 0.00 0.00 +0.159 C ATOM 2 C LIG 1 1.595 -1.224 -0.451 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.898 -0.201 -0.550 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 1.079 -2.340 0.159 0.00 0.00 -0.285 N ATOM 5 C LIG 1 1.746 -3.599 0.433 0.00 0.00 +0.077 C ATOM 6 C LIG 1 0.591 -4.595 0.558 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -0.539 -3.774 1.165 0.00 0.00 +0.034 C ATOM 8 C LIG 1 2.609 -3.535 1.707 0.00 0.00 +0.022 C ATOM 9 C LIG 1 3.369 -2.224 1.952 0.00 0.00 +0.002 C ATOM 10 C LIG 1 4.475 -1.874 0.965 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -0.316 -2.355 0.626 0.00 0.00 +0.162 C ATOM 12 C LIG 1 4.176 -2.034 -0.521 0.00 0.00 +0.032 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.179 0.645 -2.260 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.383 0.183 -1.237 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.763 0.841 -0.772 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.734 -0.102 -3.065 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.344 2.184 -2.302 0.00 0.00 +0.137 C BRANCH 17 18 ATOM 18 N LIG 1 5.482 2.533 -3.179 0.00 0.00 -0.320 NA ATOM 19 H LIG 1 6.293 1.997 -2.859 0.00 0.00 +0.119 HD ATOM 20 H LIG 1 5.288 2.132 -4.102 0.00 0.00 +0.119 HD ENDBRANCH 17 18 BRANCH 17 22 ATOM 21 C LIG 1 3.121 4.372 -2.785 0.00 0.00 +0.006 C ATOM 22 C LIG 1 3.049 2.851 -2.787 0.00 0.00 +0.024 C ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 11 23 ATOM 23 C LIG 1 -0.546 -1.342 1.772 0.00 0.00 +0.234 C ATOM 24 N LIG 1 -1.563 -0.436 1.683 0.00 0.00 -0.303 N ATOM 25 H LIG 1 -1.602 0.211 2.459 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 0.157 -1.328 2.786 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 C LIG 1 -2.471 -0.210 0.573 0.00 0.00 +0.134 C BRANCH 27 28 ATOM 28 C LIG 1 -3.075 1.184 0.699 0.00 0.00 -0.022 A ATOM 29 C LIG 1 -2.410 2.273 0.105 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -2.898 3.586 0.223 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -4.079 3.820 0.961 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -4.569 5.131 1.078 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -3.905 6.198 0.471 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -2.738 5.968 -0.252 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.734 2.739 1.565 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -2.237 4.671 -0.376 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -4.236 1.438 1.442 0.00 0.00 +0.006 A ENDBRANCH 27 28 BRANCH 27 38 ATOM 38 C LIG 1 -3.500 -1.325 0.408 0.00 0.00 -0.023 A ATOM 39 C LIG 1 -4.037 -1.578 -0.867 0.00 0.00 +0.006 A ATOM 40 C LIG 1 -4.977 -2.593 -1.059 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.399 -3.366 0.020 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.888 -3.122 1.292 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -3.948 -2.106 1.487 0.00 0.00 +0.006 A ENDBRANCH 27 38 ENDBRANCH 24 27 ENDBRANCH 11 23 TORSDOF 8