REMARK Name = BDB025055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.851 -2.166 -1.259 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.164 -2.108 -0.033 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.475 -3.087 1.037 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.867 -2.832 1.642 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.471 -3.119 2.201 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.058 -2.944 1.696 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.991 -1.613 1.008 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.881 -0.754 1.158 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.255 -0.941 1.901 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -1.015 0.120 1.701 0.00 0.00 +0.123 A ATOM 11 N LIG 1 -0.361 1.036 0.887 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.833 0.461 0.489 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.859 0.868 -0.366 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.953 0.005 -0.522 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.040 -1.226 0.144 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.660 -1.447 -2.234 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.850 2.347 0.475 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.241 2.400 -1.006 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.043 3.680 -1.300 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.533 4.905 -0.520 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.093 4.735 -0.041 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.069 3.518 0.875 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.055 3.980 -2.789 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.161 3.689 -3.567 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.166 4.643 -3.185 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.801 4.829 -2.467 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.480 -3.298 -2.526 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.771 -3.177 -1.291 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.404 0.233 2.277 0.00 0.00 +0.138 C ATOM 30 C LIG 1 -2.454 1.232 3.433 0.00 0.00 +0.025 C BRANCH 29 31 ATOM 31 C LIG 1 -3.437 0.528 1.179 0.00 0.00 +0.226 C ATOM 32 N LIG 1 -3.668 -0.431 0.195 0.00 0.00 -0.301 N ATOM 33 C LIG 1 -3.038 -1.759 0.158 0.00 0.00 +0.108 C ATOM 34 C LIG 1 -3.884 -2.772 -0.606 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -4.159 -2.324 -2.041 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -4.201 -0.804 -2.192 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -4.592 -0.109 -0.894 0.00 0.00 +0.108 C ATOM 38 O LIG 1 -4.035 1.611 1.159 0.00 0.00 -0.275 OA ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6