REMARK Name = BDB054073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.908 -0.181 -0.139 0.00 0.00 +0.121 A ATOM 2 C LIG 1 2.265 -0.181 0.165 0.00 0.00 +0.152 A ATOM 3 O LIG 1 2.893 -0.988 1.092 0.00 0.00 -0.458 OA ATOM 4 C LIG 1 4.260 -0.755 0.984 0.00 0.00 +0.127 C ATOM 5 C LIG 1 4.550 0.454 0.112 0.00 0.00 +0.117 C ATOM 6 C LIG 1 5.005 1.657 0.941 0.00 0.00 +0.033 C ATOM 7 C LIG 1 5.614 -0.026 -0.873 0.00 0.00 +0.169 C ATOM 8 O LIG 1 5.540 0.141 -2.094 0.00 0.00 -0.295 OA ATOM 9 C LIG 1 6.821 -0.738 -0.293 0.00 0.00 +0.192 C ATOM 10 C LIG 1 6.566 -1.423 1.031 0.00 0.00 +0.177 C ATOM 11 O LIG 1 7.471 -1.909 1.705 0.00 0.00 -0.291 OA ATOM 12 C LIG 1 5.166 -1.608 1.469 0.00 0.00 +0.090 C ATOM 13 C LIG 1 3.177 0.684 -0.452 0.00 0.00 +0.058 A ATOM 14 C LIG 1 2.732 1.606 -1.373 0.00 0.00 +0.128 A ATOM 15 C LIG 1 1.379 1.636 -1.713 0.00 0.00 +0.092 A ATOM 16 C LIG 1 0.462 0.744 -1.113 0.00 0.00 +0.139 A ENDROOT BRANCH 1 19 ATOM 17 N LIG 1 -1.317 -0.846 0.624 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -1.649 -0.056 0.079 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 0.017 -1.166 0.549 0.00 0.00 +0.251 C ATOM 20 O LIG 1 0.463 -2.209 1.016 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -2.292 -1.788 1.116 0.00 0.00 +0.140 C BRANCH 21 29 ATOM 22 C LIG 1 -5.612 -0.161 2.022 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -6.265 -0.151 0.784 0.00 0.00 +0.014 A ATOM 24 C LIG 1 -5.655 -0.656 -0.374 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -4.354 -1.211 -0.304 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -3.784 -1.699 -1.504 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -4.471 -1.644 -2.720 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.746 -1.099 -2.769 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.693 -1.244 0.956 0.00 0.00 -0.022 A ATOM 30 C LIG 1 -6.334 -0.610 -1.604 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -4.331 -0.717 2.095 0.00 0.00 +0.011 A BRANCH 22 32 ATOM 32 C LIG 1 -6.292 0.355 3.266 0.00 0.00 +0.194 C BRANCH 32 34 ATOM 33 C LIG 1 -7.690 2.045 4.121 0.00 0.00 +0.194 C ATOM 34 O LIG 1 -7.037 1.535 2.967 0.00 0.00 -0.378 OA ENDBRANCH 32 34 ENDBRANCH 22 32 ENDBRANCH 21 29 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 9 35 ATOM 35 C LIG 1 8.031 0.157 -0.241 0.00 0.00 +0.148 C ATOM 36 O LIG 1 7.950 1.339 0.098 0.00 0.00 -0.296 OA ATOM 37 C LIG 1 9.360 -0.457 -0.601 0.00 0.00 +0.087 C ENDBRANCH 9 35 BRANCH 14 38 ATOM 38 O LIG 1 3.618 2.487 -1.904 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 3.230 2.914 -2.685 0.00 0.00 +0.292 HD ENDBRANCH 14 38 BRANCH 16 40 ATOM 40 O LIG 1 -0.878 0.737 -1.419 0.00 0.00 -0.494 OA ATOM 41 C LIG 1 -1.313 1.462 -2.564 0.00 0.00 +0.277 C ENDBRANCH 16 40 TORSDOF 8