REMARK Name = BDB026707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.081 -0.573 -0.266 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.601 0.713 0.004 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.215 0.923 0.057 0.00 0.00 +0.090 A ATOM 4 N LIG 1 1.546 2.065 0.377 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.260 1.773 0.317 0.00 0.00 +0.119 A ATOM 6 N LIG 1 0.062 0.452 -0.097 0.00 0.00 -0.280 N ATOM 7 C LIG 1 1.333 -0.121 -0.209 0.00 0.00 +0.075 A ATOM 8 C LIG 1 1.804 -1.424 -0.455 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.190 -1.628 -0.492 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.196 -0.186 -0.338 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -2.275 0.246 0.362 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -3.462 -0.372 0.154 0.00 0.00 +0.065 A ATOM 13 C LIG 1 -4.675 0.172 0.857 0.00 0.00 +0.066 C ATOM 14 C LIG 1 -5.697 -0.924 1.110 0.00 0.00 +0.102 C ATOM 15 C LIG 1 -5.959 -1.755 -0.128 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -4.879 -2.005 -0.935 0.00 0.00 -0.284 N ATOM 17 H LIG 1 -5.035 -2.664 -1.688 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -7.051 -2.265 -0.360 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -3.628 -1.410 -0.757 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -2.533 -1.817 -1.503 0.00 0.00 +0.029 A ATOM 21 C LIG 1 -1.298 -1.200 -1.291 0.00 0.00 +0.048 A ENDBRANCH 6 10 BRANCH 1 25 ATOM 22 C LIG 1 7.424 -2.260 0.232 0.00 0.00 +0.128 C ATOM 23 N LIG 1 6.009 -2.011 0.112 0.00 0.00 -0.314 N ATOM 24 H LIG 1 5.383 -2.595 0.649 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 5.554 -0.776 -0.309 0.00 0.00 +0.244 C ATOM 26 O LIG 1 6.291 0.132 -0.672 0.00 0.00 -0.270 OA ENDBRANCH 1 25 BRANCH 5 27 ATOM 27 C LIG 1 -0.830 2.783 0.583 0.00 0.00 +0.049 C ATOM 28 C LIG 1 -0.400 4.181 0.122 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -1.175 2.813 2.073 0.00 0.00 +0.015 C ENDBRANCH 5 27 TORSDOF 3