REMARK Name = BDB044609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.481 -3.374 -0.550 0.00 0.00 +0.058 A ATOM 2 C LIG 1 0.101 -3.626 -0.742 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.290 -4.906 -1.149 0.00 0.00 +0.024 A ATOM 4 C LIG 1 0.652 -5.925 -1.325 0.00 0.00 +0.002 A ATOM 5 C LIG 1 2.002 -5.683 -1.091 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.418 -4.412 -0.702 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 3.165 -1.625 -0.752 0.00 0.00 -0.281 N ATOM 8 H LIG 1 3.569 -2.257 -1.432 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 1.956 -2.000 -0.191 0.00 0.00 +0.250 C ATOM 10 O LIG 1 1.233 -1.295 0.507 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 5.360 1.953 -0.317 0.00 0.00 +0.134 A ATOM 12 C LIG 1 4.186 1.792 0.425 0.00 0.00 +0.102 A ATOM 13 C LIG 1 3.442 0.605 0.301 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.852 -0.405 -0.573 0.00 0.00 +0.035 A ATOM 15 C LIG 1 5.020 -0.218 -1.324 0.00 0.00 +0.027 A ATOM 16 C LIG 1 5.766 0.956 -1.205 0.00 0.00 +0.048 A BRANCH 11 18 ATOM 17 C LIG 1 7.227 2.973 0.557 0.00 0.00 +0.277 C ATOM 18 O LIG 1 6.078 3.118 -0.279 0.00 0.00 -0.494 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 C LIG 1 3.741 2.844 1.369 0.00 0.00 +0.340 C ATOM 20 O LIG 1 4.441 3.597 2.017 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 2.398 2.899 1.451 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 2.233 3.628 2.085 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 12 19 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 N LIG 1 -0.831 -2.583 -0.510 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -0.423 -1.757 -0.070 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -2.201 -2.598 -0.677 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -2.874 -3.542 -1.077 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -2.905 -1.331 -0.310 0.00 0.00 +0.037 A ATOM 28 C LIG 1 -2.293 -0.077 -0.390 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -3.005 1.076 -0.035 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.343 1.017 0.400 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -4.945 -0.251 0.457 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.238 -1.407 0.103 0.00 0.00 +0.013 A BRANCH 30 33 ATOM 33 C LIG 1 -5.089 2.308 0.782 0.00 0.00 -0.013 C ATOM 34 C LIG 1 -6.544 2.075 1.248 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -5.146 3.254 -0.437 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -4.347 3.014 1.938 0.00 0.00 +0.015 C ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 8