REMARK Name = BDB057911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.851 4.623 -1.335 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.950 3.178 -1.684 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.863 2.310 -2.013 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.393 1.043 -2.270 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.573 -0.043 -2.626 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.807 0.165 -2.719 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.361 1.419 -2.456 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.765 1.137 -2.103 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.532 2.498 -2.116 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.115 2.429 -1.759 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.524 2.853 -1.513 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.827 1.663 -2.551 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.635 0.586 -2.261 0.00 0.00 -0.304 N ATOM 14 H LIG 1 -3.228 -0.183 -1.753 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.248 2.775 -2.846 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.071 0.739 -2.137 0.00 0.00 +0.107 C BRANCH 16 17 ATOM 17 C LIG 1 -5.435 0.948 -0.674 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -5.542 -0.121 0.234 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -5.851 0.094 1.588 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -6.039 1.409 2.033 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.916 2.482 1.150 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.612 2.254 -0.191 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -5.983 -1.059 2.568 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -4.675 -1.844 2.699 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -7.140 -1.986 2.189 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 -5.821 -0.435 -2.732 0.00 0.00 +0.014 C ATOM 27 C LIG 1 -5.452 -0.971 -4.098 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -5.253 -1.832 -2.882 0.00 0.00 +0.006 C ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.706 0.036 -2.321 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 4.261 -0.533 -1.037 0.00 0.00 -0.028 A ATOM 31 C LIG 1 5.644 -0.709 -0.892 0.00 0.00 +0.006 A ATOM 32 C LIG 1 6.176 -1.252 0.282 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.340 -1.641 1.339 0.00 0.00 -0.017 A ATOM 34 C LIG 1 3.956 -1.481 1.184 0.00 0.00 +0.009 A ATOM 35 C LIG 1 3.422 -0.938 0.011 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 5.901 -2.211 2.574 0.00 0.00 -0.004 A ATOM 37 C LIG 1 6.682 -1.468 3.481 0.00 0.00 +0.067 A ATOM 38 C LIG 1 7.263 -2.077 4.604 0.00 0.00 +0.015 A ATOM 39 C LIG 1 7.044 -3.430 4.856 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.254 -4.176 3.987 0.00 0.00 +0.001 A ATOM 41 C LIG 1 5.692 -3.575 2.856 0.00 0.00 +0.009 A BRANCH 37 42 ATOM 42 C LIG 1 6.946 -0.028 3.302 0.00 0.00 +0.337 C ATOM 43 O LIG 1 8.041 0.501 3.313 0.00 0.00 -0.245 OA BRANCH 42 44 ATOM 44 O LIG 1 5.806 0.676 3.213 0.00 0.00 -0.477 OA ATOM 45 H LIG 1 6.094 1.605 3.104 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 37 42 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 10