REMARK Name = BDB020671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.190 -1.001 0.609 0.00 0.00 +0.001 A ATOM 2 C LIG 1 2.203 0.202 -0.072 0.00 0.00 +0.100 A ATOM 3 N LIG 1 0.909 0.576 -0.401 0.00 0.00 -0.318 N ATOM 4 C LIG 1 0.074 -0.434 0.070 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -1.320 -0.311 -0.157 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -1.789 0.751 -0.838 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.904 1.814 -1.344 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -1.589 2.910 -2.121 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.437 1.727 -1.095 0.00 0.00 +0.044 A ATOM 10 C LIG 1 0.833 -1.393 0.703 0.00 0.00 +0.036 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.456 -3.065 2.794 0.00 0.00 +0.124 A ATOM 12 C LIG 1 3.323 -2.416 2.294 0.00 0.00 +0.054 A ATOM 13 C LIG 1 3.384 -1.666 1.114 0.00 0.00 -0.010 A ATOM 14 C LIG 1 4.605 -1.583 0.436 0.00 0.00 +0.054 A ATOM 15 C LIG 1 5.746 -2.228 0.925 0.00 0.00 +0.124 A ATOM 16 C LIG 1 5.669 -2.969 2.107 0.00 0.00 +0.091 A BRANCH 11 18 ATOM 17 C LIG 1 5.360 -4.426 4.527 0.00 0.00 +0.277 C ATOM 18 O LIG 1 4.244 -3.756 3.957 0.00 0.00 -0.495 OA ENDBRANCH 11 18 BRANCH 15 19 ATOM 19 O LIG 1 6.865 -2.056 0.155 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 8.057 -2.696 0.591 0.00 0.00 +0.277 C ENDBRANCH 15 19 ENDBRANCH 1 13 BRANCH 6 21 ATOM 21 C LIG 1 -3.270 0.798 -1.015 0.00 0.00 +0.245 C ATOM 22 N LIG 1 -3.747 -0.177 -1.854 0.00 0.00 -0.307 N ATOM 23 H LIG 1 -3.111 -0.866 -2.239 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -3.960 1.644 -0.461 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 -5.159 -0.393 -2.070 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 C LIG 1 -5.634 -1.481 -1.152 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -5.237 -2.866 -1.571 0.00 0.00 +0.254 A ATOM 28 O LIG 1 -4.537 -3.072 -2.559 0.00 0.00 -0.268 OA ATOM 29 N LIG 1 -5.683 -3.900 -0.788 0.00 0.00 -0.326 N ATOM 30 H LIG 1 -5.402 -4.825 -1.089 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 -6.438 -3.744 0.347 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -6.822 -4.986 1.089 0.00 0.00 +0.063 C ATOM 33 C LIG 1 -6.786 -2.507 0.732 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -6.383 -1.336 -0.035 0.00 0.00 -0.039 A ATOM 35 C LIG 1 -6.859 -0.028 0.535 0.00 0.00 +0.044 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 6 21 BRANCH 9 36 ATOM 36 C LIG 1 1.474 2.791 -1.504 0.00 0.00 +0.101 C ATOM 37 C LIG 1 1.827 2.542 -2.984 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 1.056 4.186 -1.202 0.00 0.00 -0.290 NA ATOM 39 C LIG 1 0.762 4.354 0.249 0.00 0.00 +0.113 C ATOM 40 C LIG 1 0.883 5.814 0.710 0.00 0.00 +0.175 C ATOM 41 O LIG 1 2.217 6.322 0.575 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 2.929 5.735 -0.521 0.00 0.00 +0.175 C ATOM 43 C LIG 1 2.005 5.232 -1.641 0.00 0.00 +0.113 C ENDBRANCH 36 38 ENDBRANCH 9 36 TORSDOF 8