REMARK Name = BDB024929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.699 -0.875 -0.378 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.385 -1.360 -0.521 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.293 -2.817 -0.729 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.617 -3.577 0.569 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.958 -3.263 -1.317 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.819 -2.768 -0.452 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.914 -1.277 -0.300 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.734 -0.525 -0.092 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.553 -0.975 0.042 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.315 0.093 0.206 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.536 1.241 0.178 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.778 0.858 -0.015 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.976 1.556 -0.146 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.146 0.803 -0.329 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.161 -0.602 -0.363 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.692 -1.527 -0.698 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.028 2.612 0.292 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.846 3.410 -1.010 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.571 4.767 -0.942 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.532 5.399 0.458 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.380 4.871 1.306 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.475 3.359 1.522 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.017 4.623 -1.395 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.636 3.571 -1.416 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.575 5.797 -1.764 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.980 6.568 -1.700 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.147 0.794 0.418 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.806 0.345 0.217 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.814 0.107 0.396 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -3.518 -1.228 0.210 0.00 0.00 -0.012 A ATOM 31 C LIG 1 -3.150 -2.365 0.947 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -3.830 -3.579 0.792 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -4.899 -3.674 -0.098 0.00 0.00 +0.120 A ATOM 34 C LIG 1 -5.278 -2.547 -0.828 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -4.598 -1.335 -0.678 0.00 0.00 +0.010 A BRANCH 33 36 ATOM 36 O LIG 1 -5.647 -4.793 -0.342 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 -5.260 -5.982 0.336 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 29 30 BRANCH 29 38 ATOM 38 O LIG 1 -3.057 0.602 1.718 0.00 0.00 -0.379 OA ATOM 39 H LIG 1 -3.686 -0.010 2.136 0.00 0.00 +0.211 HD ENDBRANCH 29 38 ENDBRANCH 10 29 TORSDOF 8