REMARK Name = BDB004979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.332 -0.469 1.607 0.00 0.00 +0.030 C ATOM 2 C LIG 1 0.451 -1.237 0.739 0.00 0.00 +0.024 C ATOM 3 C LIG 1 -0.578 -1.978 1.196 0.00 0.00 -0.048 C ATOM 4 C LIG 1 -0.850 -2.042 2.685 0.00 0.00 +0.037 C ATOM 5 C LIG 1 -0.240 -0.890 3.497 0.00 0.00 +0.033 C ATOM 6 C LIG 1 1.001 -0.302 2.895 0.00 0.00 -0.003 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.428 0.874 1.557 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.459 0.051 1.007 0.00 0.00 -0.282 N ATOM 9 H LIG 1 2.555 -0.154 0.021 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.436 1.360 2.681 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 6.688 1.911 -1.047 0.00 0.00 +0.155 A ATOM 12 C LIG 1 6.147 2.835 -0.145 0.00 0.00 +0.165 A ATOM 13 F LIG 1 6.643 4.080 -0.081 0.00 0.00 -0.202 F ATOM 14 C LIG 1 5.095 2.498 0.700 0.00 0.00 +0.055 A ATOM 15 C LIG 1 4.552 1.213 0.642 0.00 0.00 +0.040 A ATOM 16 C LIG 1 5.092 0.270 -0.244 0.00 0.00 +0.017 A ATOM 17 C LIG 1 6.155 0.621 -1.088 0.00 0.00 +0.049 A BRANCH 11 19 ATOM 18 C LIG 1 8.322 1.451 -2.720 0.00 0.00 +0.277 C ATOM 19 O LIG 1 7.718 2.371 -1.821 0.00 0.00 -0.492 OA ENDBRANCH 11 19 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -1.470 -2.836 0.314 0.00 0.00 +0.095 C ATOM 21 C LIG 1 -0.932 -3.252 -1.060 0.00 0.00 +0.032 C BRANCH 20 22 ATOM 22 N LIG 1 -2.825 -2.283 0.226 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -3.252 -2.234 1.146 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.092 -1.078 -0.448 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.427 -0.619 -0.530 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -4.638 0.610 -1.187 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -5.963 1.091 -1.265 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -7.040 0.367 -0.719 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -6.825 -0.848 -0.090 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -3.597 1.284 -1.721 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -2.380 0.741 -1.615 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -5.530 -1.337 0.001 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -2.082 -0.409 -1.017 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -6.329 2.385 -1.924 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -7.495 2.758 -2.003 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -5.332 3.158 -2.442 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -4.364 2.851 -2.408 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -5.571 4.023 -2.903 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 7