REMARK Name = BDB014191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.469 -0.923 0.263 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.646 -0.169 0.319 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.641 -0.339 -0.654 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -2.447 -1.292 -1.665 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.284 -2.066 -1.702 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.296 -1.888 -0.735 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 0.191 -0.747 2.487 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.556 -0.721 1.314 0.00 0.00 +0.247 C ATOM 9 N LIG 1 1.877 -0.508 0.938 0.00 0.00 -0.295 N ATOM 10 C LIG 1 2.891 -0.452 1.996 0.00 0.00 +0.127 C ATOM 11 C LIG 1 4.321 -0.578 1.448 0.00 0.00 +0.125 C ATOM 12 N LIG 1 4.596 0.495 0.472 0.00 0.00 -0.312 N ATOM 13 C LIG 1 3.480 0.885 -0.409 0.00 0.00 +0.125 C ATOM 14 C LIG 1 2.331 -0.145 -0.411 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 5.890 0.510 -0.057 0.00 0.00 +0.124 A ATOM 16 N LIG 1 6.705 -0.530 0.209 0.00 0.00 -0.210 NA ATOM 17 C LIG 1 7.948 -0.462 -0.310 0.00 0.00 +0.203 A ATOM 18 C LIG 1 8.403 0.605 -1.065 0.00 0.00 +0.105 A ATOM 19 N LIG 1 9.686 0.250 -1.361 0.00 0.00 -0.256 N ATOM 20 H LIG 1 10.384 0.752 -1.895 0.00 0.00 +0.191 HD ATOM 21 N LIG 1 10.008 -0.948 -0.844 0.00 0.00 -0.066 NA ATOM 22 C LIG 1 7.604 1.701 -1.345 0.00 0.00 +0.034 A ATOM 23 N LIG 1 8.940 -1.396 -0.189 0.00 0.00 -0.109 NA ATOM 24 C LIG 1 6.317 1.622 -0.806 0.00 0.00 +0.046 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 C LIG 1 -3.917 0.470 -0.595 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -5.108 -0.226 0.057 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -6.347 0.567 0.285 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -7.421 -0.082 0.891 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -8.618 0.600 1.141 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -8.741 1.940 0.778 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.673 2.594 0.166 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.288 -1.500 1.261 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -8.206 -2.108 1.799 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -6.086 -2.089 0.960 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -5.967 -3.065 1.214 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -6.477 1.912 -0.084 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -5.019 -1.483 0.378 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 4