REMARK Name = BDB013650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.765 0.279 -0.479 0.00 0.00 -0.324 N ATOM 2 H LIG 1 0.612 -0.463 -1.168 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.016 0.276 0.104 0.00 0.00 +0.166 A ATOM 4 C LIG 1 3.064 -0.558 -0.539 0.00 0.00 +0.117 A ATOM 5 C LIG 1 4.330 -0.552 -0.005 0.00 0.00 +0.070 A ATOM 6 C LIG 1 5.305 -1.338 -0.620 0.00 0.00 +0.017 A ATOM 7 C LIG 1 4.961 -2.096 -1.738 0.00 0.00 +0.020 A ATOM 8 C LIG 1 3.652 -2.042 -2.199 0.00 0.00 +0.111 A ATOM 9 C LIG 1 4.604 0.260 1.182 0.00 0.00 +0.276 A ATOM 10 O LIG 1 5.746 0.279 1.635 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 3.526 0.955 1.721 0.00 0.00 -0.230 N ATOM 12 C LIG 1 3.716 1.805 2.882 0.00 0.00 +0.176 C ATOM 13 N LIG 1 2.685 -1.293 -1.626 0.00 0.00 -0.251 NA ATOM 14 N LIG 1 2.264 0.978 1.175 0.00 0.00 -0.151 NA ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 -0.441 0.634 0.259 0.00 0.00 +0.126 C BRANCH 15 16 ATOM 16 C LIG 1 -1.702 0.435 -0.644 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -2.997 0.832 0.061 0.00 0.00 -0.029 A ATOM 18 C LIG 1 -3.310 0.405 1.362 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -4.504 0.791 1.976 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.405 1.610 1.300 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.114 2.043 0.009 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.921 1.657 -0.605 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 -1.898 -2.035 -0.410 0.00 0.00 +0.105 C ATOM 24 N LIG 1 -1.713 -0.902 -1.311 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 -2.666 -0.966 -2.418 0.00 0.00 +0.105 C ENDBRANCH 16 24 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 5