REMARK Name = BDB042082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.568 -2.493 1.520 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.252 -1.445 1.129 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.048 -0.625 -0.066 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -1.091 0.500 -0.218 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -2.466 -0.023 -0.089 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -2.631 -0.696 1.231 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -1.336 -1.029 2.006 0.00 0.00 +0.123 C ATOM 8 O LIG 1 0.387 -3.183 2.519 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 9 N LIG 1 4.598 -0.672 0.985 0.00 0.00 -0.282 N ATOM 10 C LIG 1 3.319 -1.006 1.424 0.00 0.00 +0.249 C ATOM 11 O LIG 1 2.652 -0.434 2.261 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 2.894 -2.189 0.666 0.00 0.00 +0.054 A ATOM 13 C LIG 1 3.970 -2.596 -0.123 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.862 -3.700 -0.954 0.00 0.00 +0.006 A ATOM 15 C LIG 1 2.650 -4.399 -0.977 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.571 -3.991 -0.174 0.00 0.00 +0.014 A ATOM 17 C LIG 1 1.690 -2.865 0.650 0.00 0.00 +0.049 A ATOM 18 C LIG 1 5.149 -1.718 0.126 0.00 0.00 +0.144 C BRANCH 9 25 ATOM 19 O LIG 1 6.101 3.180 -1.185 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 5.940 2.428 -0.228 0.00 0.00 +0.219 C ATOM 21 N LIG 1 6.934 1.570 0.167 0.00 0.00 -0.255 N ATOM 22 H LIG 1 7.790 1.620 -0.369 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 6.810 0.475 0.990 0.00 0.00 +0.240 C ATOM 24 O LIG 1 7.699 -0.374 1.026 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 5.455 0.289 1.695 0.00 0.00 +0.163 C ATOM 26 C LIG 1 4.821 1.675 1.874 0.00 0.00 +0.041 C ATOM 27 C LIG 1 4.634 2.347 0.523 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -3.503 1.022 -0.314 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -4.941 0.506 -0.155 0.00 0.00 -0.023 A ATOM 30 C LIG 1 -5.891 1.291 0.520 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -7.202 0.843 0.651 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -8.093 1.602 1.303 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -7.602 -0.376 0.119 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -6.676 -1.163 -0.561 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -5.357 -0.723 -0.701 0.00 0.00 +0.006 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -3.370 1.730 -1.668 0.00 0.00 -0.023 A ATOM 37 C LIG 1 -3.402 3.133 -1.730 0.00 0.00 +0.043 A ATOM 38 C LIG 1 -3.297 3.780 -2.958 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -3.325 5.119 -2.998 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -3.164 3.063 -4.140 0.00 0.00 +0.038 A ATOM 41 C LIG 1 -3.137 1.671 -4.098 0.00 0.00 +0.003 A ATOM 42 C LIG 1 -3.241 1.010 -2.871 0.00 0.00 +0.006 A ENDBRANCH 28 36 ENDBRANCH 5 28 TORSDOF 5