REMARK Name = BDB027068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.249 1.225 -1.268 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.188 2.247 -1.898 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -4.124 1.883 -2.881 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -4.972 2.837 -3.444 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -4.888 4.170 -3.046 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.950 4.551 -2.090 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.100 3.598 -1.524 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -1.137 0.945 -2.212 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -1.417 0.144 -2.786 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 0.144 0.664 -1.557 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 0.233 -0.689 -0.836 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 4.186 -1.283 0.827 0.00 0.00 -0.039 A ATOM 13 C LIG 1 3.162 -0.727 1.605 0.00 0.00 +0.004 A ATOM 14 C LIG 1 1.885 -0.544 1.071 0.00 0.00 +0.004 A ATOM 15 C LIG 1 1.606 -0.915 -0.250 0.00 0.00 -0.046 A ATOM 16 C LIG 1 2.631 -1.460 -1.032 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.910 -1.641 -0.499 0.00 0.00 +0.004 A BRANCH 12 18 ATOM 18 C LIG 1 5.568 -1.483 1.408 0.00 0.00 +0.131 C BRANCH 18 21 ATOM 19 C LIG 1 8.518 0.831 2.168 0.00 0.00 +0.131 C ATOM 20 N LIG 1 7.716 -0.369 1.990 0.00 0.00 -0.307 N ATOM 21 C LIG 1 6.423 -0.220 1.475 0.00 0.00 +0.219 C ATOM 22 O LIG 1 6.006 0.875 1.095 0.00 0.00 -0.275 OA ATOM 23 C LIG 1 8.187 -1.557 2.686 0.00 0.00 +0.131 C ENDBRANCH 18 21 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -2.996 -0.086 -0.893 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -2.892 -1.086 -1.612 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -3.817 -0.113 0.326 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -4.545 -1.234 0.856 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -5.184 -0.813 2.023 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -5.985 -1.659 2.800 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -6.140 -2.981 2.373 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.518 -3.435 1.214 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -4.866 0.511 2.203 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -5.198 1.080 2.970 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -4.720 -2.576 0.450 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -4.045 0.942 1.194 0.00 0.00 +0.095 A ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9