REMARK Name = BDB013879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.105 -0.110 -0.153 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -0.113 0.747 0.257 0.00 0.00 +0.240 C ATOM 3 O LIG 1 0.078 1.872 0.739 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.389 0.237 -0.004 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.613 -1.081 -0.517 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.904 -2.188 -0.008 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.129 -3.468 -0.543 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.061 -3.658 -1.560 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.778 -2.573 -2.050 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.045 -2.039 1.152 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -2.556 -1.296 -1.531 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.322 -1.309 0.769 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.428 0.480 -0.838 0.00 0.00 +0.231 C ATOM 14 N LIG 1 2.281 0.763 -0.140 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.160 1.665 0.316 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.578 -0.557 -1.483 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.516 1.576 -0.751 0.00 0.00 +0.140 C BRANCH 17 19 ATOM 18 C LIG 1 4.006 2.527 -3.098 0.00 0.00 +0.006 C ATOM 19 C LIG 1 4.125 2.797 -1.602 0.00 0.00 +0.025 C ENDBRANCH 17 19 BRANCH 17 20 ATOM 20 N LIG 1 5.832 1.044 -1.180 0.00 0.00 -0.303 NA ATOM 21 H LIG 1 5.653 0.449 -1.998 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 6.433 0.192 -0.133 0.00 0.00 +0.109 C BRANCH 22 23 ATOM 23 C LIG 1 7.790 -0.327 -0.623 0.00 0.00 +0.171 C BRANCH 23 24 ATOM 24 O LIG 1 8.607 0.773 -1.021 0.00 0.00 -0.394 OA ATOM 25 H LIG 1 7.982 1.410 -1.423 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 26 ATOM 26 C LIG 1 -2.535 1.143 0.191 0.00 0.00 +0.153 C BRANCH 26 27 ATOM 27 C LIG 1 -3.652 0.581 1.061 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -4.989 0.414 0.581 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.931 -0.160 1.469 0.00 0.00 +0.072 A ATOM 30 C LIG 1 -7.238 -0.362 1.048 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -7.669 -0.004 -0.228 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -6.772 0.576 -1.109 0.00 0.00 +0.001 A ATOM 33 N LIG 1 -5.633 -0.521 2.723 0.00 0.00 -0.251 NA ATOM 34 C LIG 1 -4.374 -0.308 3.162 0.00 0.00 +0.157 A ATOM 35 C LIG 1 -5.451 0.786 -0.710 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -3.359 0.242 2.397 0.00 0.00 +0.143 A BRANCH 36 37 ATOM 37 O LIG 1 -2.090 0.492 2.840 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -1.816 0.264 4.217 0.00 0.00 +0.277 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 10