REMARK Name = BDB051956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.149 1.289 0.088 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.242 0.344 -0.272 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.108 1.745 0.410 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -1.373 2.877 0.798 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.161 0.747 0.211 0.00 0.00 +0.063 A ATOM 6 C LIG 1 -2.148 -0.672 0.384 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -3.419 -1.168 0.026 0.00 0.00 +0.057 A ATOM 8 C LIG 1 -3.669 -2.557 0.070 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -2.663 -3.431 0.494 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.424 -2.952 0.881 0.00 0.00 +0.001 A ATOM 11 N LIG 1 -4.222 -0.067 -0.316 0.00 0.00 -0.287 N ATOM 12 C LIG 1 -5.574 0.011 -0.728 0.00 0.00 +0.229 C ATOM 13 O LIG 1 -6.050 1.107 -1.009 0.00 0.00 -0.273 OA ATOM 14 C LIG 1 -6.360 -1.254 -0.802 0.00 0.00 +0.113 C ATOM 15 C LIG 1 -1.161 -1.583 0.836 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -3.440 1.069 -0.182 0.00 0.00 +0.108 A ENDBRANCH 3 5 BRANCH 1 18 ATOM 17 C LIG 1 2.526 1.174 -0.138 0.00 0.00 +0.049 A ATOM 18 C LIG 1 1.389 1.947 0.214 0.00 0.00 +0.055 A ATOM 19 C LIG 1 1.532 3.256 0.679 0.00 0.00 +0.040 A ATOM 20 C LIG 1 2.810 3.805 0.818 0.00 0.00 +0.061 A ATOM 21 C LIG 1 3.935 3.061 0.446 0.00 0.00 +0.017 A ATOM 22 C LIG 1 3.793 1.758 -0.038 0.00 0.00 +0.025 A BRANCH 17 23 ATOM 23 N LIG 1 2.297 -0.106 -0.707 0.00 0.00 -0.342 N ATOM 24 H LIG 1 2.056 0.043 -1.691 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 3.382 -1.085 -0.611 0.00 0.00 +0.101 C BRANCH 25 27 ATOM 26 C LIG 1 3.911 -3.532 -0.915 0.00 0.00 +0.005 C ATOM 27 C LIG 1 2.837 -2.460 -0.999 0.00 0.00 +0.015 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 17 23 BRANCH 20 28 ATOM 28 C LIG 1 3.022 5.189 1.310 0.00 0.00 +0.337 C ATOM 29 O LIG 1 3.946 5.886 0.929 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 2.140 5.580 2.253 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 1.516 4.896 2.561 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 1 18 TORSDOF 7