REMARK Name = BDB024224 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.452 -0.440 -0.076 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.335 -1.685 0.793 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.225 -1.924 1.622 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.158 -3.076 2.409 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.203 -3.998 2.390 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.320 -3.765 1.591 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.388 -2.616 0.802 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.662 -0.840 -1.261 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.352 -1.805 -1.254 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.109 0.118 -0.638 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.166 1.317 -0.575 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.328 -0.665 -3.191 0.00 0.00 +0.084 A ATOM 13 C LIG 1 3.585 -1.820 -3.010 0.00 0.00 +0.140 A ATOM 14 N LIG 1 2.386 -1.854 -2.374 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.894 -0.691 -1.894 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.568 0.513 -2.030 0.00 0.00 +0.046 A ATOM 17 C LIG 1 3.801 0.525 -2.687 0.00 0.00 +0.032 A BRANCH 12 21 ATOM 18 C LIG 1 8.410 1.127 -5.036 0.00 0.00 +0.067 C ATOM 19 C LIG 1 7.390 0.111 -4.682 0.00 0.00 +0.060 A ATOM 20 N LIG 1 6.285 0.471 -4.023 0.00 0.00 -0.172 NA ATOM 21 N LIG 1 5.576 -0.676 -3.860 0.00 0.00 -0.238 N ATOM 22 C LIG 1 6.238 -1.750 -4.416 0.00 0.00 +0.115 A ATOM 23 C LIG 1 7.409 -1.270 -4.952 0.00 0.00 +0.044 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.275 0.641 0.529 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.169 1.450 -0.088 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -1.839 1.048 1.875 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -2.605 2.265 2.462 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -2.595 3.490 1.540 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.013 1.919 2.928 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.321 1.951 4.298 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.604 1.633 4.751 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.602 1.277 3.840 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.309 1.242 2.475 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.024 1.560 2.024 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.917 0.949 4.303 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.983 0.683 4.680 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9