REMARK Name = BDB045560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.333 2.014 0.126 0.00 0.00 +0.216 C ATOM 2 N LIG 1 0.114 1.543 0.589 0.00 0.00 -0.298 N ATOM 3 C LIG 1 -0.989 2.500 0.754 0.00 0.00 +0.126 C ATOM 4 C LIG 1 -1.996 2.061 1.822 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.522 0.717 1.577 0.00 0.00 -0.294 N ATOM 6 C LIG 1 -3.666 0.337 2.279 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -4.128 1.010 3.199 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.644 -0.216 0.863 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -0.158 0.155 0.984 0.00 0.00 +0.126 C ATOM 10 O LIG 1 1.492 3.183 -0.222 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -4.303 -0.968 1.965 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -4.710 -1.373 0.672 0.00 0.00 +0.050 A ATOM 13 C LIG 1 -5.141 -2.705 0.515 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -5.215 -3.583 1.602 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.857 -3.153 2.874 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -4.401 -1.851 3.056 0.00 0.00 +0.015 A BRANCH 12 17 ATOM 17 N LIG 1 -4.712 -0.497 -0.468 0.00 0.00 -0.254 N ATOM 18 C LIG 1 -5.279 0.776 -0.374 0.00 0.00 +0.313 C ATOM 19 O LIG 1 -5.821 1.249 0.619 0.00 0.00 -0.252 OA ATOM 20 N LIG 1 -5.245 1.524 -1.526 0.00 0.00 -0.240 N ATOM 21 H LIG 1 -5.688 2.430 -1.464 0.00 0.00 +0.159 HD ATOM 22 C LIG 1 -4.595 1.235 -2.693 0.00 0.00 +0.222 C ATOM 23 O LIG 1 -4.576 2.022 -3.636 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -3.847 -0.063 -2.717 0.00 0.00 +0.115 C ATOM 25 C LIG 1 -4.539 -1.054 -1.805 0.00 0.00 +0.124 C ENDBRANCH 12 17 ENDBRANCH 6 11 BRANCH 1 26 ATOM 26 C LIG 1 2.473 1.010 0.056 0.00 0.00 +0.104 C BRANCH 26 30 ATOM 27 C LIG 1 6.082 -1.209 -1.458 0.00 0.00 +0.120 A ATOM 28 C LIG 1 4.978 -0.343 -1.449 0.00 0.00 +0.050 A ATOM 29 C LIG 1 4.903 0.655 -0.487 0.00 0.00 -0.029 A ATOM 30 C LIG 1 3.812 1.675 -0.291 0.00 0.00 +0.036 C ATOM 31 C LIG 1 4.347 2.565 0.861 0.00 0.00 +0.088 C ATOM 32 C LIG 1 5.626 1.906 1.313 0.00 0.00 +0.164 C ATOM 33 O LIG 1 6.323 2.242 2.254 0.00 0.00 -0.292 OA ATOM 34 C LIG 1 5.928 0.784 0.439 0.00 0.00 +0.021 A ATOM 35 C LIG 1 7.029 -0.051 0.462 0.00 0.00 +0.015 A ATOM 36 C LIG 1 7.101 -1.062 -0.501 0.00 0.00 +0.046 A BRANCH 27 38 ATOM 37 C LIG 1 7.166 -3.026 -2.547 0.00 0.00 +0.277 C ATOM 38 O LIG 1 6.045 -2.156 -2.446 0.00 0.00 -0.495 OA ENDBRANCH 27 38 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 5