REMARK Name = BDB017392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.166 0.973 -0.219 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.996 1.463 -1.100 0.00 0.00 +0.238 C ATOM 3 O LIG 1 1.083 1.619 -2.317 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.178 1.671 -0.396 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.437 3.047 -0.007 0.00 0.00 +0.167 C ATOM 6 C LIG 1 -1.940 3.070 0.268 0.00 0.00 +0.045 C ATOM 7 C LIG 1 -2.464 2.208 -0.870 0.00 0.00 +0.035 C ATOM 8 N LIG 1 0.349 3.534 1.117 0.00 0.00 -0.283 N ATOM 9 C LIG 1 0.582 4.885 1.365 0.00 0.00 +0.214 C ATOM 10 O LIG 1 1.181 5.276 2.366 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 0.104 5.887 0.344 0.00 0.00 +0.109 C ATOM 12 C LIG 1 0.866 2.574 2.090 0.00 0.00 +0.109 C ATOM 13 C LIG 1 2.373 2.344 1.932 0.00 0.00 +0.021 C ATOM 14 C LIG 1 -1.413 1.099 -0.970 0.00 0.00 +0.164 C ATOM 15 C LIG 1 2.875 2.117 0.497 0.00 0.00 +0.033 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 2.730 -1.019 -1.522 0.00 0.00 +0.230 C ATOM 17 N LIG 1 3.071 0.260 -1.117 0.00 0.00 -0.303 N ATOM 18 H LIG 1 3.528 0.838 -1.814 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 1.795 -1.625 -0.993 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 3.636 -1.639 -2.620 0.00 0.00 +0.137 C ATOM 21 C LIG 1 3.790 -0.746 -3.849 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 1.975 -3.060 -3.782 0.00 0.00 +0.101 C ATOM 23 N LIG 1 3.180 -3.012 -2.955 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 2.978 -3.485 -2.070 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -1.856 -0.188 -0.233 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -0.831 -1.046 0.105 0.00 0.00 -0.307 N ATOM 27 H LIG 1 0.036 -0.951 -0.414 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -3.043 -0.452 -0.071 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -0.999 -2.372 0.696 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -1.822 -2.366 1.968 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -3.004 -3.120 2.082 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -3.723 -3.099 3.288 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.288 -2.326 4.363 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.126 -1.570 4.250 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.494 -4.001 0.961 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -2.928 -3.630 -0.407 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -1.396 -1.591 3.062 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -1.420 -3.429 -0.337 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5