REMARK Name = BDB015960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.585 2.287 -0.044 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.611 1.355 -0.049 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.670 1.760 0.089 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.992 3.103 0.275 0.00 0.00 +0.060 A ATOM 5 C LIG 1 0.081 3.977 0.248 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.368 3.604 0.092 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.603 -0.011 -0.487 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.285 0.451 -0.334 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.979 1.823 -0.202 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.057 2.726 -0.227 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.374 2.285 -0.377 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.644 0.923 -0.506 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 6.646 -4.366 -1.727 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.780 -3.351 -1.178 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.696 -3.718 -0.472 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.141 -2.553 -0.130 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.863 -1.435 -0.613 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.924 -1.999 -1.293 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.339 3.616 0.495 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -2.712 4.818 0.020 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -3.989 4.960 0.415 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.711 6.159 0.063 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -4.455 3.906 1.137 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -3.410 3.018 1.215 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.683 0.776 0.057 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.393 1.072 -0.611 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.224 -0.587 -0.206 0.00 0.00 +0.106 C BRANCH 27 28 ATOM 28 C LIG 1 -2.418 -1.557 -0.165 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -3.042 -1.629 1.239 0.00 0.00 +0.036 C ATOM 30 C LIG 1 -4.184 -2.642 1.299 0.00 0.00 +0.115 C ATOM 31 C LIG 1 -3.736 -4.025 0.832 0.00 0.00 +0.031 C ATOM 32 C LIG 1 -3.117 -3.968 -0.559 0.00 0.00 +0.003 C ATOM 33 C LIG 1 -1.976 -2.956 -0.626 0.00 0.00 +0.005 C BRANCH 30 34 ATOM 34 O LIG 1 -4.680 -2.727 2.631 0.00 0.00 -0.392 OA ATOM 35 H LIG 1 -3.949 -3.011 3.205 0.00 0.00 +0.210 HD ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7