REMARK Name = BDB058110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.533 0.045 1.138 0.00 0.00 +0.061 A ATOM 2 N LIG 1 -0.202 1.089 1.601 0.00 0.00 -0.251 NA ATOM 3 C LIG 1 -1.528 1.171 1.281 0.00 0.00 +0.087 A ATOM 4 C LIG 1 -2.265 2.310 1.972 0.00 0.00 +0.285 C ATOM 5 O LIG 1 -3.511 2.751 1.406 0.00 0.00 -0.485 OA ATOM 6 C LIG 1 -4.515 1.875 1.736 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -4.593 0.633 1.093 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.579 0.329 0.059 0.00 0.00 +0.001 C ATOM 9 C LIG 1 -3.966 0.309 -1.243 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -5.371 0.437 -1.772 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -5.605 -0.262 1.451 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.550 0.108 2.412 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.487 1.368 3.014 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -5.469 2.259 2.673 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.151 0.221 0.462 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -1.390 -0.883 0.057 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -0.045 -0.978 0.398 0.00 0.00 +0.026 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -2.976 0.220 -2.341 0.00 0.00 +0.179 A ATOM 19 N LIG 1 -2.083 1.198 -2.482 0.00 0.00 -0.272 N ATOM 20 H LIG 1 -1.958 2.026 -1.926 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -1.347 0.895 -3.560 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -0.441 1.572 -4.020 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -1.799 -0.296 -4.072 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -2.893 -0.699 -3.239 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 1.994 0.038 1.527 0.00 0.00 +0.178 C BRANCH 25 27 ATOM 26 C LIG 1 3.655 -1.603 0.539 0.00 0.00 +0.111 A ATOM 27 N LIG 1 2.869 -0.470 0.481 0.00 0.00 -0.322 N ATOM 28 C LIG 1 3.053 0.116 -0.755 0.00 0.00 +0.069 A ATOM 29 C LIG 1 3.937 -0.733 -1.413 0.00 0.00 +0.092 A ATOM 30 C LIG 1 4.334 -0.454 -2.736 0.00 0.00 -0.023 A ATOM 31 C LIG 1 3.793 0.696 -3.344 0.00 0.00 +0.005 A ATOM 32 C LIG 1 2.906 1.534 -2.666 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.280 -1.324 -3.508 0.00 0.00 +0.046 C ATOM 34 C LIG 1 2.522 1.266 -1.350 0.00 0.00 +0.028 A ATOM 35 N LIG 1 4.294 -1.781 -0.600 0.00 0.00 -0.232 NA BRANCH 26 36 ATOM 36 C LIG 1 3.765 -2.518 1.716 0.00 0.00 +0.074 C BRANCH 36 38 ATOM 37 C LIG 1 6.184 -1.996 2.323 0.00 0.00 +0.004 C ATOM 38 C LIG 1 4.732 -2.001 2.783 0.00 0.00 +0.004 C ENDBRANCH 36 38 ENDBRANCH 26 36 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 5