REMARK Name = BDB027793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.208 -0.351 -1.290 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.752 -1.073 -2.027 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.082 -0.870 -1.652 0.00 0.00 +0.095 A ATOM 4 C LIG 1 3.034 -1.587 -2.361 0.00 0.00 +0.139 A ATOM 5 N LIG 1 2.790 -2.452 -3.379 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 1.503 -2.612 -3.729 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.446 -0.034 -0.670 0.00 0.00 -0.224 NA ATOM 8 C LIG 1 1.460 0.632 -0.066 0.00 0.00 +0.180 A ATOM 9 C LIG 1 0.463 -1.957 -3.095 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.154 0.520 -0.339 0.00 0.00 -0.211 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.821 1.592 0.964 0.00 0.00 +0.105 A ATOM 12 N LIG 1 3.004 1.613 1.668 0.00 0.00 -0.264 N ATOM 13 C LIG 1 4.116 0.693 1.580 0.00 0.00 +0.173 C ATOM 14 N LIG 1 3.080 2.620 2.567 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 1.918 3.256 2.436 0.00 0.00 +0.135 A ATOM 16 C LIG 1 1.098 2.663 1.465 0.00 0.00 +0.052 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.571 -0.529 -1.596 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -1.759 -1.528 -1.598 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.554 1.689 -0.949 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.624 0.164 -0.839 0.00 0.00 +0.099 C BRANCH 20 21 ATOM 21 C LIG 1 -2.799 -0.425 0.549 0.00 0.00 -0.025 A ATOM 22 C LIG 1 -3.517 -1.619 0.711 0.00 0.00 +0.025 A ATOM 23 C LIG 1 -3.660 -2.155 1.983 0.00 0.00 +0.111 A ATOM 24 N LIG 1 -3.138 -1.598 3.093 0.00 0.00 -0.263 NA ATOM 25 C LIG 1 -2.441 -0.455 2.924 0.00 0.00 +0.111 A ATOM 26 C LIG 1 -2.251 0.160 1.695 0.00 0.00 +0.025 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 4