REMARK Name = BDB026684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.180 2.263 -0.472 0.00 0.00 +0.073 A ATOM 2 N LIG 1 -0.208 2.161 -0.584 0.00 0.00 -0.299 N ATOM 3 C LIG 1 -0.660 3.461 -0.729 0.00 0.00 +0.204 A ATOM 4 N LIG 1 0.307 4.345 -0.767 0.00 0.00 -0.243 NA ATOM 5 C LIG 1 1.446 3.615 -0.612 0.00 0.00 +0.139 A ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.045 1.001 -0.591 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -2.405 1.114 -0.253 0.00 0.00 +0.031 A ATOM 8 C LIG 1 -3.236 -0.016 -0.252 0.00 0.00 -0.024 A ATOM 9 C LIG 1 -4.710 0.102 0.027 0.00 0.00 +0.046 C ATOM 10 C LIG 1 -5.263 -1.181 0.626 0.00 0.00 +0.101 C ATOM 11 C LIG 1 -4.817 -2.404 -0.142 0.00 0.00 +0.218 C ATOM 12 N LIG 1 -3.539 -2.382 -0.634 0.00 0.00 -0.285 N ATOM 13 H LIG 1 -3.206 -3.254 -1.027 0.00 0.00 +0.155 HD ATOM 14 O LIG 1 -5.517 -3.409 -0.243 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -2.710 -1.258 -0.614 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -1.375 -1.377 -0.983 0.00 0.00 +0.025 A ATOM 17 C LIG 1 -0.543 -0.252 -0.968 0.00 0.00 +0.028 A ENDBRANCH 2 6 BRANCH 1 21 ATOM 18 C LIG 1 4.011 -0.802 0.460 0.00 0.00 +0.120 A ATOM 19 C LIG 1 2.967 -0.511 1.342 0.00 0.00 +0.046 A ATOM 20 C LIG 1 2.039 0.490 1.045 0.00 0.00 +0.013 A ATOM 21 C LIG 1 2.136 1.207 -0.152 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.190 0.925 -1.029 0.00 0.00 +0.013 A ATOM 23 C LIG 1 4.120 -0.078 -0.727 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 5.944 -2.115 0.026 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.845 -1.803 0.872 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 1 21 TORSDOF 3