REMARK Name = BDB000040 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.515 -1.519 0.259 0.00 0.00 -0.310 N ATOM 2 H LIG 1 0.117 -0.958 1.021 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.028 -1.152 -0.992 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.127 -0.308 -1.080 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -1.869 0.380 -0.026 0.00 0.00 +0.256 C ATOM 6 N LIG 1 -2.795 1.174 -0.642 0.00 0.00 -0.222 N ATOM 7 C LIG 1 -2.768 1.010 -2.000 0.00 0.00 +0.255 C ATOM 8 O LIG 1 -3.472 1.527 -2.846 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 -1.651 0.228 1.162 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -1.680 0.079 -2.288 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -1.194 -0.372 -3.497 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -0.102 -1.240 -3.452 0.00 0.00 +0.003 A ATOM 13 C LIG 1 0.471 -1.623 -2.218 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 -3.803 1.970 0.039 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -4.874 1.043 0.622 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.099 -0.092 0.206 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -5.645 1.583 1.628 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -6.358 0.976 2.009 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -5.461 2.776 2.282 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -6.178 3.098 3.225 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.380 3.683 1.743 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -3.243 2.882 1.127 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 24 ATOM 23 C LIG 1 2.768 -0.840 1.004 0.00 0.00 +0.150 A ATOM 24 C LIG 1 1.874 -1.821 0.505 0.00 0.00 +0.085 A ATOM 25 C LIG 1 2.420 -3.100 0.249 0.00 0.00 +0.044 A ATOM 26 C LIG 1 1.910 -4.336 -0.214 0.00 0.00 +0.144 A ATOM 27 N LIG 1 2.844 -5.285 -0.303 0.00 0.00 -0.179 NA ATOM 28 N LIG 1 3.959 -4.668 0.131 0.00 0.00 -0.267 N ATOM 29 C LIG 1 5.197 -5.407 0.198 0.00 0.00 +0.173 C ATOM 30 C LIG 1 3.771 -3.352 0.482 0.00 0.00 +0.071 A ATOM 31 C LIG 1 4.647 -2.382 0.985 0.00 0.00 +0.032 A ATOM 32 C LIG 1 4.114 -1.120 1.256 0.00 0.00 +0.050 A BRANCH 23 33 ATOM 33 O LIG 1 2.333 0.418 1.369 0.00 0.00 -0.451 OA BRANCH 33 36 ATOM 34 C LIG 1 0.621 2.533 2.100 0.00 0.00 +0.069 C ATOM 35 C LIG 1 1.104 2.331 0.692 0.00 0.00 +0.084 A ATOM 36 C LIG 1 1.971 1.293 0.379 0.00 0.00 +0.167 A ATOM 37 C LIG 1 2.405 1.258 -0.933 0.00 0.00 +0.160 A ATOM 38 N LIG 1 2.003 2.131 -1.883 0.00 0.00 -0.240 NA ATOM 39 C LIG 1 1.145 3.076 -1.476 0.00 0.00 +0.221 A ATOM 40 N LIG 1 0.664 3.222 -0.231 0.00 0.00 -0.237 NA ENDBRANCH 33 36 ENDBRANCH 23 33 ENDBRANCH 1 24 TORSDOF 5