REMARK Name = BDB004383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.892 1.580 0.899 0.00 0.00 +0.118 C ATOM 2 C LIG 1 0.716 0.846 0.242 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -0.585 1.448 0.834 0.00 0.00 +0.118 C ATOM 4 C LIG 1 -0.497 1.655 2.361 0.00 0.00 +0.096 C ATOM 5 N LIG 1 0.634 1.003 3.010 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 0.653 1.199 4.011 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 1.938 1.302 2.407 0.00 0.00 +0.096 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 3.471 -0.053 -0.003 0.00 0.00 -0.310 N ATOM 9 H LIG 1 2.722 -0.709 0.235 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 3.239 1.272 0.265 0.00 0.00 +0.220 C ATOM 11 O LIG 1 4.070 2.155 0.073 0.00 0.00 -0.275 OA BRANCH 8 12 ATOM 12 C LIG 1 4.734 -0.562 -0.540 0.00 0.00 +0.101 C BRANCH 12 13 ATOM 13 C LIG 1 4.471 -1.881 -1.322 0.00 0.00 +0.005 C ATOM 14 C LIG 1 3.527 -1.630 -2.509 0.00 0.00 +0.009 C ATOM 15 C LIG 1 5.744 -2.553 -1.843 0.00 0.00 +0.009 C ENDBRANCH 12 13 BRANCH 12 16 ATOM 16 C LIG 1 5.761 -0.710 0.606 0.00 0.00 +0.182 C BRANCH 16 17 ATOM 17 O LIG 1 7.090 -0.797 0.089 0.00 0.00 -0.378 OA BRANCH 17 19 ATOM 18 C LIG 1 9.430 -1.001 0.499 0.00 0.00 +0.034 C ATOM 19 C LIG 1 8.057 -0.890 1.131 0.00 0.00 +0.156 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 20 ATOM 20 C LIG 1 -1.837 0.651 0.449 0.00 0.00 +0.228 C ATOM 21 N LIG 1 -3.062 1.345 0.384 0.00 0.00 -0.253 N ATOM 22 O LIG 1 -1.709 -0.555 0.209 0.00 0.00 -0.275 OA BRANCH 21 23 ATOM 23 C LIG 1 -4.261 0.648 -0.012 0.00 0.00 +0.128 A ATOM 24 N LIG 1 -5.208 1.357 -0.676 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 -6.345 0.727 -1.054 0.00 0.00 +0.116 A ATOM 26 C LIG 1 -6.628 -0.607 -0.796 0.00 0.00 -0.027 A ATOM 27 C LIG 1 -5.660 -1.320 -0.093 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -4.476 -0.691 0.304 0.00 0.00 +0.044 A BRANCH 26 29 ATOM 29 C LIG 1 -7.928 -1.226 -1.258 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -7.686 -2.376 -2.239 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -8.780 -1.692 -0.075 0.00 0.00 +0.012 C ENDBRANCH 26 29 ENDBRANCH 21 23 BRANCH 21 32 ATOM 32 C LIG 1 -3.112 2.801 0.323 0.00 0.00 +0.083 C ATOM 33 C LIG 1 -4.253 3.613 0.904 0.00 0.00 +0.025 C ATOM 34 C LIG 1 -2.910 3.670 1.546 0.00 0.00 +0.025 C ENDBRANCH 21 32 ENDBRANCH 3 20 BRANCH 2 35 ATOM 35 O LIG 1 0.862 -0.568 0.455 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 -0.025 -0.972 0.323 0.00 0.00 +0.210 HD ENDBRANCH 2 35 TORSDOF 11