REMARK Name = BDB035881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.191 -1.113 0.698 0.00 0.00 +0.065 A ATOM 2 C LIG 1 -0.120 -0.904 1.378 0.00 0.00 +0.266 A ATOM 3 O LIG 1 -0.157 -0.453 2.526 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -1.254 -1.249 0.644 0.00 0.00 -0.267 N ATOM 5 C LIG 1 -1.131 -1.768 -0.641 0.00 0.00 +0.144 A ATOM 6 C LIG 1 -2.404 -2.119 -1.392 0.00 0.00 -0.001 A ATOM 7 C LIG 1 -3.564 -1.941 -0.733 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -3.639 -1.394 0.602 0.00 0.00 -0.016 A ATOM 9 N LIG 1 0.016 -1.968 -1.221 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -2.500 -1.076 1.231 0.00 0.00 +0.101 A ATOM 11 C LIG 1 1.146 -1.634 -0.535 0.00 0.00 +0.127 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.691 0.321 1.265 0.00 0.00 -0.033 A ATOM 13 C LIG 1 3.437 0.001 0.692 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.481 -0.800 1.342 0.00 0.00 -0.011 A ATOM 15 C LIG 1 2.780 -1.293 2.614 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.002 -1.000 3.214 0.00 0.00 +0.001 A ATOM 17 C LIG 1 4.939 -0.208 2.546 0.00 0.00 +0.004 A BRANCH 12 21 ATOM 18 C LIG 1 7.569 3.652 -0.591 0.00 0.00 +0.007 C ATOM 19 C LIG 1 6.609 3.258 0.520 0.00 0.00 -0.012 C ATOM 20 C LIG 1 5.248 2.674 0.095 0.00 0.00 +0.022 C ATOM 21 C LIG 1 5.749 1.232 0.463 0.00 0.00 +0.056 C ATOM 22 C LIG 1 6.908 1.933 1.250 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 6.279 0.418 -0.797 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.982 -0.756 -0.799 0.00 0.00 -0.320 N ATOM 25 C LIG 1 7.407 -1.540 0.327 0.00 0.00 +0.151 C ATOM 26 C LIG 1 7.186 -1.071 -2.107 0.00 0.00 +0.224 A ATOM 27 N LIG 1 6.638 -0.155 -2.869 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 6.057 0.778 -2.045 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 -2.331 -2.672 -2.763 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -1.834 -1.787 -3.881 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -3.276 -2.192 -3.839 0.00 0.00 +0.009 C ENDBRANCH 6 29 BRANCH 8 32 ATOM 32 C LIG 1 -5.003 -1.223 1.236 0.00 0.00 +0.121 C BRANCH 32 33 ATOM 33 N LIG 1 -5.904 -0.351 0.468 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -7.275 -0.411 0.978 0.00 0.00 +0.088 C ATOM 35 C LIG 1 -8.239 0.249 -0.029 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -9.588 0.519 0.639 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -7.654 1.532 -0.647 0.00 0.00 +0.006 C ATOM 38 C LIG 1 -6.516 2.084 0.200 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -5.412 1.038 0.411 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 6