REMARK Name = BDB053457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.310 0.664 -0.134 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.407 0.996 0.859 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -0.994 0.559 0.749 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -1.517 0.669 2.181 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.719 1.836 2.757 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.658 1.661 2.128 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.947 -0.023 -1.094 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.756 1.493 -0.217 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.856 1.087 -0.908 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -3.202 1.851 -1.475 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -1.416 2.672 -0.383 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.837 0.024 -0.697 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -5.041 0.470 0.135 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -5.033 1.609 0.955 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.166 1.969 1.690 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.326 1.203 1.615 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -7.365 0.087 0.788 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.234 -0.276 0.055 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.253 -1.344 -0.374 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -2.472 -1.996 -1.346 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -1.902 -3.245 -1.092 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.109 -3.870 0.134 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.881 -3.244 1.108 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.443 -1.987 0.860 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.787 1.128 0.029 0.00 0.00 +0.162 C BRANCH 25 27 ATOM 26 C LIG 1 3.928 -0.609 -1.392 0.00 0.00 +0.230 C ATOM 27 N LIG 1 3.637 -0.059 -0.154 0.00 0.00 -0.302 N ATOM 28 H LIG 1 3.674 -0.692 0.634 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 3.748 -0.041 -2.470 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 4.598 -2.002 -1.313 0.00 0.00 +0.137 C ATOM 31 C LIG 1 4.010 -2.888 -2.421 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 6.849 -3.015 -1.372 0.00 0.00 +0.101 C ATOM 33 N LIG 1 6.064 -1.790 -1.415 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 6.262 -1.284 -2.284 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 3.140 2.349 -0.858 0.00 0.00 +0.012 C ATOM 36 C LIG 1 2.323 3.590 -0.476 0.00 0.00 +0.009 C ATOM 37 C LIG 1 4.636 2.702 -0.762 0.00 0.00 +0.009 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 9