REMARK Name = BDB014565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.055 -1.144 2.518 0.00 0.00 +0.251 C ATOM 2 N LIG 1 0.740 -0.438 1.382 0.00 0.00 -0.310 N ATOM 3 H LIG 1 1.261 0.415 1.190 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.369 -2.068 2.950 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 2.324 -0.667 3.233 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 3.224 0.094 2.438 0.00 0.00 -0.483 OA BRANCH 6 13 ATOM 7 C LIG 1 7.072 1.598 -1.063 0.00 0.00 +0.173 C ATOM 8 N LIG 1 6.718 0.205 -0.932 0.00 0.00 -0.267 N ATOM 9 C LIG 1 5.769 -0.320 -0.089 0.00 0.00 +0.072 A ATOM 10 C LIG 1 5.790 -1.690 -0.326 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.915 -2.523 0.392 0.00 0.00 +0.015 A ATOM 12 C LIG 1 4.042 -1.950 1.331 0.00 0.00 +0.046 A ATOM 13 C LIG 1 4.036 -0.573 1.559 0.00 0.00 +0.123 A ATOM 14 C LIG 1 6.779 -1.865 -1.317 0.00 0.00 +0.142 A ATOM 15 C LIG 1 4.904 0.266 0.846 0.00 0.00 +0.073 A ATOM 16 N LIG 1 7.347 -0.716 -1.690 0.00 0.00 -0.179 NA ENDBRANCH 6 13 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 17 ATOM 17 C LIG 1 -0.506 -0.633 0.663 0.00 0.00 +0.136 C BRANCH 17 18 ATOM 18 C LIG 1 -0.401 -0.090 -0.765 0.00 0.00 +0.145 C BRANCH 18 19 ATOM 19 O LIG 1 -0.223 1.337 -0.708 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -1.133 1.690 -0.620 0.00 0.00 +0.210 HD ENDBRANCH 18 19 BRANCH 18 21 ATOM 21 C LIG 1 -1.635 -0.402 -1.640 0.00 0.00 +0.117 C BRANCH 21 22 ATOM 22 N LIG 1 -2.810 0.387 -1.206 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -3.773 -0.464 -0.471 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -5.048 0.259 -0.094 0.00 0.00 -0.030 A ATOM 25 C LIG 1 -5.467 1.395 -0.807 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -6.670 2.028 -0.466 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -7.465 1.522 0.562 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.062 0.384 1.258 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.591 1.969 -1.891 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -5.862 -0.247 0.930 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.505 0.990 -2.360 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 2 17 TORSDOF 8