REMARK Name = BDB024265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.156 -1.409 -1.189 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.041 -2.130 -2.524 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.209 -3.523 -2.583 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.107 -4.202 -3.799 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.844 -3.498 -4.972 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.691 -2.114 -4.933 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.794 -1.432 -3.719 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.980 -0.405 -0.987 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.198 -1.030 -0.639 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.237 -2.042 -0.626 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.133 0.808 -1.133 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.437 -0.457 -0.362 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.394 -1.369 -0.100 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.636 -0.900 0.185 0.00 0.00 +0.136 A ATOM 15 C LIG 1 3.998 0.445 0.218 0.00 0.00 +0.048 A ATOM 16 C LIG 1 2.975 1.354 -0.044 0.00 0.00 +0.028 A ATOM 17 C LIG 1 1.684 0.906 -0.339 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.301 0.868 0.525 0.00 0.00 -0.327 N ATOM 19 C LIG 1 5.925 2.125 0.184 0.00 0.00 +0.118 C ATOM 20 C LIG 1 7.219 1.437 0.460 0.00 0.00 +0.049 C ATOM 21 C LIG 1 8.015 1.800 1.668 0.00 0.00 +0.172 C ATOM 22 O LIG 1 9.185 2.046 0.829 0.00 0.00 -0.378 OA ATOM 23 C LIG 1 8.423 1.709 -0.368 0.00 0.00 +0.172 C ATOM 24 C LIG 1 6.527 0.117 0.394 0.00 0.00 +0.118 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -3.463 -0.717 -1.102 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -3.379 0.142 -1.651 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.806 -0.367 0.281 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.132 0.404 0.318 0.00 0.00 +0.050 C BRANCH 28 32 ATOM 29 C LIG 1 -6.211 1.445 4.369 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.379 2.287 3.625 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.035 1.952 2.313 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.521 0.775 1.730 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -6.350 -0.069 2.482 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.695 0.266 3.794 0.00 0.00 +0.019 A BRANCH 29 36 ATOM 35 N LIG 1 -6.849 2.063 6.806 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 -6.564 1.787 5.715 0.00 0.00 +0.099 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9