REMARK Name = BDB001079 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.293 -1.443 0.724 0.00 0.00 +0.256 C ATOM 2 N LIG 1 3.168 -0.787 0.247 0.00 0.00 -0.295 N ATOM 3 C LIG 1 2.825 0.621 0.493 0.00 0.00 +0.127 C ATOM 4 C LIG 1 1.950 1.227 -0.613 0.00 0.00 +0.127 C ATOM 5 N LIG 1 0.738 0.445 -0.858 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -0.339 1.080 -1.467 0.00 0.00 +0.247 C ATOM 7 O LIG 1 -0.309 2.247 -1.848 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.840 -1.007 -0.652 0.00 0.00 +0.127 C ATOM 9 C LIG 1 2.289 -1.513 -0.677 0.00 0.00 +0.127 C ATOM 10 O LIG 1 4.535 -2.609 0.387 0.00 0.00 -0.272 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.593 0.321 -1.662 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.277 -0.214 -0.564 0.00 0.00 +0.017 A ATOM 13 C LIG 1 -3.481 -0.909 -0.754 0.00 0.00 -0.041 A ATOM 14 C LIG 1 -3.963 -1.079 -2.061 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.289 -0.522 -3.151 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.108 0.191 -2.953 0.00 0.00 +0.013 A BRANCH 13 17 ATOM 17 C LIG 1 -4.210 -1.498 0.433 0.00 0.00 +0.093 C BRANCH 17 18 ATOM 18 C LIG 1 -5.717 -1.271 0.408 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -6.275 0.069 0.726 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -7.661 0.207 0.676 0.00 0.00 +0.050 A ATOM 21 C LIG 1 -8.267 1.438 0.960 0.00 0.00 +0.014 A ATOM 22 C LIG 1 -7.479 2.537 1.295 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.092 2.406 1.345 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -8.488 -0.957 0.322 0.00 0.00 +0.272 A ATOM 25 O LIG 1 -9.710 -0.883 0.268 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 -7.810 -2.122 0.059 0.00 0.00 -0.242 N ATOM 27 H LIG 1 -8.365 -2.936 -0.186 0.00 0.00 +0.192 HD ATOM 28 C LIG 1 -5.488 1.176 1.064 0.00 0.00 +0.010 A ATOM 29 N LIG 1 -6.462 -2.292 0.095 0.00 0.00 -0.175 NA ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 1 31 ATOM 30 C LIG 1 4.554 -0.591 3.081 0.00 0.00 +0.062 C ATOM 31 C LIG 1 5.250 -0.751 1.729 0.00 0.00 +0.256 C BRANCH 31 32 ATOM 32 O LIG 1 5.774 0.517 1.363 0.00 0.00 -0.480 OA BRANCH 32 33 ATOM 33 C LIG 1 6.671 0.584 0.333 0.00 0.00 +0.122 A ATOM 34 C LIG 1 7.197 -0.492 -0.382 0.00 0.00 +0.045 A ATOM 35 C LIG 1 8.106 -0.267 -1.421 0.00 0.00 +0.004 A ATOM 36 C LIG 1 8.495 1.031 -1.748 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.978 2.108 -1.035 0.00 0.00 +0.004 A ATOM 38 C LIG 1 7.070 1.882 0.002 0.00 0.00 +0.045 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 6