REMARK Name = BDB059735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.903 -1.145 0.088 0.00 0.00 +0.142 A ATOM 2 N LIG 1 -1.909 -0.213 -0.090 0.00 0.00 -0.321 N ATOM 3 C LIG 1 -1.734 1.220 -0.227 0.00 0.00 +0.142 C ATOM 4 C LIG 1 -2.855 2.024 0.417 0.00 0.00 +0.126 C ATOM 5 N LIG 1 -4.090 1.981 -0.341 0.00 0.00 -0.310 N ATOM 6 H LIG 1 -4.574 2.856 -0.513 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -4.911 0.898 -0.524 0.00 0.00 +0.248 C ATOM 8 C LIG 1 -4.450 -0.464 -0.216 0.00 0.00 +0.080 A ATOM 9 C LIG 1 -5.386 -1.492 -0.102 0.00 0.00 +0.126 A ATOM 10 N LIG 1 -5.098 -2.791 0.172 0.00 0.00 -0.260 NA ATOM 11 C LIG 1 -3.798 -3.145 0.333 0.00 0.00 +0.140 A ATOM 12 C LIG 1 -2.785 -2.188 0.218 0.00 0.00 +0.108 A ATOM 13 O LIG 1 -6.049 1.081 -0.948 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -3.121 -0.863 -0.053 0.00 0.00 +0.084 A ATOM 15 N LIG 1 -1.426 -2.333 0.331 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 3.309 -0.359 0.050 0.00 0.00 -0.034 A ATOM 17 C LIG 1 2.503 0.064 -1.015 0.00 0.00 +0.005 A ATOM 18 C LIG 1 1.130 -0.195 -1.016 0.00 0.00 +0.012 A ATOM 19 C LIG 1 0.534 -0.867 0.059 0.00 0.00 +0.017 A ATOM 20 C LIG 1 1.342 -1.304 1.115 0.00 0.00 +0.012 A ATOM 21 C LIG 1 2.716 -1.046 1.117 0.00 0.00 +0.005 A BRANCH 16 22 ATOM 22 C LIG 1 4.792 -0.069 0.045 0.00 0.00 +0.116 C BRANCH 22 24 ATOM 23 C LIG 1 6.468 1.629 0.336 0.00 0.00 +0.101 C ATOM 24 N LIG 1 5.040 1.347 0.309 0.00 0.00 -0.315 NA ATOM 25 H LIG 1 4.631 1.587 1.211 0.00 0.00 +0.122 HD ENDBRANCH 22 24 ENDBRANCH 16 22 ENDBRANCH 1 19 TORSDOF 3