REMARK Name = BDB054746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.097 -1.487 -1.289 0.00 0.00 +0.139 A ATOM 2 C LIG 1 0.160 -0.078 -1.171 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.421 0.510 -1.192 0.00 0.00 +0.152 A ATOM 4 O LIG 1 1.693 1.857 -1.069 0.00 0.00 -0.458 OA ATOM 5 C LIG 1 3.075 1.997 -1.006 0.00 0.00 +0.127 C ATOM 6 C LIG 1 3.779 0.692 -1.322 0.00 0.00 +0.117 C ATOM 7 C LIG 1 4.459 0.716 -2.695 0.00 0.00 +0.033 C ATOM 8 C LIG 1 4.805 0.507 -0.209 0.00 0.00 +0.169 C ATOM 9 O LIG 1 4.988 -0.567 0.370 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 5.700 1.698 0.089 0.00 0.00 +0.192 C ATOM 11 C LIG 1 5.109 3.038 -0.293 0.00 0.00 +0.177 C ATOM 12 O LIG 1 5.790 4.060 -0.344 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 3.660 3.117 -0.574 0.00 0.00 +0.090 C ATOM 14 C LIG 1 2.599 -0.235 -1.318 0.00 0.00 +0.058 A ATOM 15 C LIG 1 2.531 -1.603 -1.462 0.00 0.00 +0.128 A ATOM 16 C LIG 1 1.287 -2.235 -1.437 0.00 0.00 +0.092 A ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 -1.039 0.803 -1.036 0.00 0.00 +0.251 C ATOM 18 N LIG 1 -2.159 0.240 -0.470 0.00 0.00 -0.307 N ATOM 19 H LIG 1 -2.179 -0.766 -0.350 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -1.013 1.971 -1.411 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 -3.408 0.957 -0.400 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 C LIG 1 -4.457 0.140 0.328 0.00 0.00 -0.020 A ATOM 23 C LIG 1 -4.490 0.117 1.759 0.00 0.00 -0.013 A ATOM 24 C LIG 1 -5.487 -0.651 2.411 0.00 0.00 -0.018 A ATOM 25 C LIG 1 -5.553 -0.687 3.815 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -4.640 0.019 4.595 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -3.648 0.768 3.980 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.410 -1.382 1.656 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -6.356 -1.381 0.265 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -3.574 0.814 2.585 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.383 -0.639 -0.413 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -5.369 -0.685 -1.918 0.00 0.00 +0.044 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 10 33 ATOM 33 C LIG 1 6.104 1.711 1.544 0.00 0.00 +0.148 C ATOM 34 O LIG 1 5.348 2.139 2.418 0.00 0.00 -0.296 OA ATOM 35 C LIG 1 7.457 1.148 1.887 0.00 0.00 +0.087 C ENDBRANCH 10 33 BRANCH 1 37 ATOM 36 C LIG 1 -1.247 -3.478 -1.353 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -1.152 -2.061 -1.276 0.00 0.00 -0.494 OA ENDBRANCH 1 37 BRANCH 15 38 ATOM 38 O LIG 1 3.678 -2.305 -1.659 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 3.523 -3.241 -1.447 0.00 0.00 +0.292 HD ENDBRANCH 15 38 TORSDOF 6