REMARK Name = BDB060027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.888 -0.995 1.037 0.00 0.00 +0.098 A ATOM 2 N LIG 1 -2.708 -1.509 0.619 0.00 0.00 -0.208 NA ATOM 3 C LIG 1 -2.613 -2.862 0.670 0.00 0.00 +0.262 A ATOM 4 C LIG 1 -3.666 -3.700 1.089 0.00 0.00 +0.179 A ATOM 5 N LIG 1 -4.837 -3.171 1.493 0.00 0.00 -0.234 NA ATOM 6 C LIG 1 -4.927 -1.817 1.460 0.00 0.00 +0.141 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -5.190 1.090 3.272 0.00 0.00 +0.070 C ATOM 8 C LIG 1 -4.576 1.358 1.948 0.00 0.00 +0.090 A ATOM 9 C LIG 1 -4.010 0.444 1.017 0.00 0.00 +0.066 A ATOM 10 C LIG 1 -3.542 1.252 0.003 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -2.840 1.014 -1.274 0.00 0.00 +0.090 C ATOM 12 O LIG 1 -3.834 2.549 0.290 0.00 0.00 -0.359 OA ATOM 13 N LIG 1 -4.489 2.619 1.505 0.00 0.00 -0.083 NA ENDBRANCH 1 9 BRANCH 4 14 ATOM 14 N LIG 1 -3.551 -5.100 1.107 0.00 0.00 -0.339 N ATOM 15 H LIG 1 -2.761 -5.361 1.694 0.00 0.00 +0.144 HD ATOM 16 H LIG 1 -3.334 -5.422 0.168 0.00 0.00 +0.144 HD ENDBRANCH 4 14 BRANCH 3 17 ATOM 17 O LIG 1 -1.439 -3.480 0.249 0.00 0.00 -0.435 OA BRANCH 17 18 ATOM 18 C LIG 1 -0.289 -2.729 0.325 0.00 0.00 +0.131 A ATOM 19 C LIG 1 0.168 -2.206 1.538 0.00 0.00 +0.047 A ATOM 20 C LIG 1 1.369 -1.496 1.577 0.00 0.00 +0.016 A ATOM 21 C LIG 1 2.104 -1.303 0.403 0.00 0.00 +0.037 A ATOM 22 C LIG 1 1.669 -1.871 -0.801 0.00 0.00 +0.016 A ATOM 23 C LIG 1 0.470 -2.586 -0.839 0.00 0.00 +0.047 A BRANCH 21 24 ATOM 24 C LIG 1 3.387 -0.564 0.484 0.00 0.00 +0.247 C ATOM 25 N LIG 1 3.663 0.423 -0.455 0.00 0.00 -0.295 N ATOM 26 C LIG 1 2.658 1.094 -1.291 0.00 0.00 +0.123 C ATOM 27 C LIG 1 2.998 2.580 -1.515 0.00 0.00 +0.103 C ATOM 28 N LIG 1 4.313 2.791 -2.154 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 4.782 4.155 -1.922 0.00 0.00 +0.105 C ATOM 30 C LIG 1 5.313 1.788 -1.727 0.00 0.00 +0.103 C ATOM 31 C LIG 1 4.984 1.053 -0.417 0.00 0.00 +0.123 C ATOM 32 O LIG 1 4.164 -0.856 1.390 0.00 0.00 -0.270 OA ENDBRANCH 21 24 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 5