REMARK Name = BDB053207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.028 -0.220 -1.376 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.258 1.100 -1.425 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 -1.338 1.565 -0.792 0.00 0.00 +0.217 A ATOM 4 N LIG 1 -2.193 0.800 -0.109 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -1.946 -0.525 -0.047 0.00 0.00 +0.078 A ATOM 6 C LIG 1 -0.852 -1.078 -0.677 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.919 -1.326 0.730 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.524 -2.477 1.444 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -3.500 -3.191 2.155 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -4.838 -2.820 2.192 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -5.460 -3.803 3.007 0.00 0.00 +0.146 A ATOM 12 N LIG 1 -4.598 -4.716 3.444 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 -5.239 -1.670 1.494 0.00 0.00 +0.014 A ATOM 14 N LIG 1 -3.423 -4.316 2.932 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -2.598 -4.863 3.148 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 -4.274 -0.942 0.778 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 -6.768 -3.835 3.303 0.00 0.00 -0.341 N ATOM 18 H LIG 1 -7.104 -4.710 3.690 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -7.431 -3.394 2.678 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 1.359 -0.268 -3.374 0.00 0.00 +0.100 C ATOM 21 N LIG 1 1.135 -0.768 -1.978 0.00 0.00 -0.307 N ATOM 22 C LIG 1 2.289 -0.473 -1.078 0.00 0.00 +0.148 C ATOM 23 C LIG 1 2.977 0.854 -1.462 0.00 0.00 +0.221 C ATOM 24 O LIG 1 3.532 0.820 -2.782 0.00 0.00 -0.364 OA ATOM 25 C LIG 1 2.884 -0.126 -3.644 0.00 0.00 +0.183 C BRANCH 23 26 ATOM 26 C LIG 1 4.026 1.149 -0.377 0.00 0.00 +0.248 C ATOM 27 N LIG 1 3.475 1.807 0.719 0.00 0.00 -0.283 N ATOM 28 H LIG 1 2.500 2.079 0.650 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 5.194 0.790 -0.491 0.00 0.00 -0.273 OA BRANCH 27 30 ATOM 30 C LIG 1 4.125 2.189 1.911 0.00 0.00 +0.033 A ATOM 31 C LIG 1 5.468 1.933 2.188 0.00 0.00 +0.023 A ATOM 32 C LIG 1 6.032 2.344 3.401 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.259 3.014 4.345 0.00 0.00 +0.000 A ATOM 34 C LIG 1 3.918 3.275 4.078 0.00 0.00 +0.002 A ATOM 35 C LIG 1 3.354 2.865 2.867 0.00 0.00 +0.023 A ENDBRANCH 27 30 ENDBRANCH 23 26 BRANCH 20 37 ATOM 36 C LIG 1 -0.752 -1.279 -4.433 0.00 0.00 +0.006 C ATOM 37 C LIG 1 0.769 -1.262 -4.393 0.00 0.00 +0.021 C ENDBRANCH 20 37 ENDBRANCH 1 21 BRANCH 3 38 ATOM 38 N LIG 1 -1.519 2.940 -0.862 0.00 0.00 -0.316 N ATOM 39 H LIG 1 -0.992 3.255 -1.669 0.00 0.00 +0.149 HD ATOM 40 C LIG 1 -2.901 3.366 -0.824 0.00 0.00 +0.128 C ENDBRANCH 3 38 TORSDOF 7