REMARK Name = BDB057201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.300 -0.033 0.295 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -4.282 -1.543 0.152 0.00 0.00 +0.270 A ATOM 3 O LIG 1 -5.323 -2.196 0.159 0.00 0.00 -0.266 OA ATOM 4 N LIG 1 -3.048 -2.120 -0.007 0.00 0.00 -0.327 N ATOM 5 H LIG 1 -3.043 -3.130 -0.085 0.00 0.00 +0.168 HD ATOM 6 C LIG 1 -1.873 -1.417 -0.081 0.00 0.00 +0.096 A ATOM 7 C LIG 1 -1.852 -0.072 -0.003 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -3.126 0.615 0.203 0.00 0.00 +0.039 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -0.544 0.626 -0.103 0.00 0.00 +0.077 A ATOM 10 N LIG 1 0.524 -0.009 0.427 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 1.714 0.604 0.354 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.902 1.796 -0.232 0.00 0.00 -0.223 NA ATOM 13 C LIG 1 0.823 2.395 -0.759 0.00 0.00 +0.116 A ATOM 14 C LIG 1 -0.436 1.853 -0.724 0.00 0.00 +0.048 A BRANCH 11 15 ATOM 15 N LIG 1 2.788 -0.078 0.932 0.00 0.00 -0.311 N ATOM 16 H LIG 1 2.483 -1.031 1.093 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 4.144 0.181 0.469 0.00 0.00 +0.073 C ATOM 18 C LIG 1 4.759 -0.631 -0.635 0.00 0.00 +0.024 C ATOM 19 C LIG 1 5.252 -0.789 0.774 0.00 0.00 +0.024 C ENDBRANCH 15 17 ENDBRANCH 11 15 ENDBRANCH 7 9 BRANCH 1 20 ATOM 20 N LIG 1 -5.528 0.574 0.502 0.00 0.00 -0.354 N ATOM 21 H LIG 1 -6.285 -0.072 0.265 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 -5.619 1.473 0.041 0.00 0.00 +0.142 HD ENDBRANCH 1 20 TORSDOF 4