REMARK Name = BDB014029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.946 -1.074 -0.420 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.680 -1.596 0.283 0.00 0.00 +0.240 C ATOM 3 O LIG 1 0.581 -1.526 1.512 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.335 -2.071 -0.556 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.079 -2.634 -1.857 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.147 -3.260 -2.175 0.00 0.00 -0.026 A ATOM 7 C LIG 1 1.363 -3.753 -3.476 0.00 0.00 +0.005 A ATOM 8 C LIG 1 0.378 -3.649 -4.453 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.840 -3.061 -4.141 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.225 -3.491 -1.145 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.066 -2.563 -2.855 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.921 -2.205 -0.722 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.274 0.987 -0.055 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.547 -0.064 0.448 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.232 -0.070 1.413 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.624 1.026 -1.235 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 3.691 2.072 0.976 0.00 0.00 +0.137 C ATOM 18 C LIG 1 2.578 2.446 1.956 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 3.242 4.091 -0.372 0.00 0.00 +0.101 C ATOM 20 N LIG 1 4.253 3.254 0.272 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.855 2.885 -0.472 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.659 -2.271 0.049 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.272 -1.075 0.785 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.220 0.278 0.304 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -2.775 1.310 1.110 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -2.710 2.658 0.711 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -2.118 3.023 -0.499 0.00 0.00 +0.037 A ATOM 28 C LIG 1 -1.583 2.032 -1.314 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -3.400 0.998 2.320 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -3.501 -0.319 2.756 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.646 0.690 -0.923 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -2.938 -1.349 2.007 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -2.017 4.437 -0.942 0.00 0.00 +0.242 C ATOM 34 O LIG 1 -1.180 4.797 -1.759 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -2.922 5.326 -0.429 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -2.909 6.249 -0.845 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -3.785 5.026 -0.002 0.00 0.00 +0.145 HD ENDBRANCH 27 33 BRANCH 32 38 ATOM 38 O LIG 1 -3.046 -2.668 2.375 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 -3.110 -2.926 3.775 0.00 0.00 +0.277 C ENDBRANCH 32 38 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7