REMARK Name = BDB035379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.765 0.755 -0.367 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.368 1.558 -0.548 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.503 2.645 -1.078 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.500 0.848 0.062 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.825 1.232 0.135 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.726 0.374 0.783 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.260 -0.850 1.320 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.905 -1.227 1.237 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.036 -0.348 0.595 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.432 -0.469 0.348 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.481 0.380 -0.954 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.146 0.155 -0.535 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.085 1.040 -0.815 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.382 2.193 -1.543 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.681 2.453 -1.978 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.709 1.559 -1.687 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.689 -0.624 -0.621 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.370 -2.088 -0.166 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -6.531 -2.584 -1.055 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -6.377 -1.284 -1.871 0.00 0.00 +0.050 C BRANCH 17 23 ATOM 21 C LIG 1 -5.244 0.713 2.296 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -6.489 0.633 1.585 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.729 0.082 0.355 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -8.007 0.225 0.071 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -8.609 0.873 1.122 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -7.685 1.115 2.021 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 O LIG 1 -6.304 -3.820 -1.756 0.00 0.00 -0.392 OA ATOM 28 H LIG 1 -5.547 -3.663 -2.344 0.00 0.00 +0.210 HD ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.406 -2.527 1.808 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.887 -3.342 0.850 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.362 -3.251 2.447 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.405 -2.338 2.712 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.193 0.741 0.867 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.862 0.439 -0.398 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.617 -0.510 -0.679 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.311 0.696 -0.340 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.941 0.066 -1.619 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.026 -0.544 -0.705 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.021 -0.433 0.461 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.697 2.140 -0.080 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8