REMARK Name = BDB013658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.231 0.044 -0.104 0.00 0.00 +0.166 A ATOM 2 C LIG 1 -2.169 -0.933 -0.715 0.00 0.00 +0.117 A ATOM 3 C LIG 1 -3.518 -0.756 -0.531 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -4.386 -1.679 -1.115 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -3.855 -2.738 -1.851 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -2.475 -2.837 -1.973 0.00 0.00 +0.111 A ATOM 7 C LIG 1 -3.990 0.375 0.270 0.00 0.00 +0.276 A ATOM 8 O LIG 1 -5.200 0.539 0.407 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -3.010 1.187 0.833 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -3.390 2.345 1.623 0.00 0.00 +0.176 C ATOM 11 N LIG 1 -1.607 -1.961 -1.419 0.00 0.00 -0.251 NA ATOM 12 N LIG 1 -1.659 1.033 0.628 0.00 0.00 -0.151 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.117 -0.148 -0.348 0.00 0.00 -0.325 N ATOM 14 H LIG 1 0.328 -1.058 -0.756 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 1.155 0.432 0.495 0.00 0.00 +0.121 C BRANCH 15 17 ATOM 16 C LIG 1 2.627 1.002 -1.463 0.00 0.00 +0.026 C ATOM 17 C LIG 1 2.572 0.228 -0.128 0.00 0.00 +0.070 C BRANCH 17 18 ATOM 18 N LIG 1 3.684 0.642 0.780 0.00 0.00 -0.304 NA ATOM 19 C LIG 1 3.664 -0.090 2.052 0.00 0.00 +0.104 C ATOM 20 C LIG 1 5.004 0.465 0.161 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 4