REMARK Name = BDB057748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.750 -2.277 0.343 0.00 0.00 +0.162 C ATOM 2 N LIG 1 -0.472 -2.967 0.770 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -1.603 -2.416 1.327 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -2.643 -3.077 1.438 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -0.419 -4.372 0.426 0.00 0.00 +0.109 C ATOM 6 C LIG 1 1.065 -4.680 0.460 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.696 -3.409 -0.095 0.00 0.00 +0.033 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.644 -0.672 -1.279 0.00 0.00 -0.304 N ATOM 9 H LIG 1 2.422 -0.615 -0.631 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.505 -1.320 -0.847 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.599 -1.133 -1.351 0.00 0.00 -0.274 OA BRANCH 8 13 ATOM 12 C LIG 1 1.188 1.740 -1.256 0.00 0.00 +0.144 C ATOM 13 C LIG 1 1.539 0.507 -2.138 0.00 0.00 +0.132 C ATOM 14 C LIG 1 2.811 0.680 -2.958 0.00 0.00 -0.022 A ATOM 15 C LIG 1 3.419 1.940 -3.118 0.00 0.00 -0.042 A ATOM 16 C LIG 1 4.585 2.054 -3.891 0.00 0.00 +0.004 A ATOM 17 C LIG 1 5.126 0.942 -4.534 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.509 -0.298 -4.410 0.00 0.00 +0.000 A ATOM 19 C LIG 1 2.877 3.174 -2.439 0.00 0.00 +0.038 C ATOM 20 C LIG 1 3.359 -0.427 -3.632 0.00 0.00 +0.006 A ATOM 21 C LIG 1 1.411 3.030 -2.040 0.00 0.00 +0.038 C BRANCH 12 22 ATOM 22 O LIG 1 2.015 1.700 -0.071 0.00 0.00 -0.362 OA BRANCH 22 23 ATOM 23 C LIG 1 1.470 2.442 1.018 0.00 0.00 +0.248 C BRANCH 23 25 ATOM 24 C LIG 1 3.001 2.030 3.166 0.00 0.00 +0.006 C ATOM 25 C LIG 1 2.314 2.216 2.198 0.00 0.00 -0.077 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 12 22 ENDBRANCH 8 13 ENDBRANCH 1 10 BRANCH 3 26 ATOM 26 C LIG 1 -1.566 -0.949 1.836 0.00 0.00 +0.164 C BRANCH 26 27 ATOM 27 C LIG 1 -1.412 -0.841 3.388 0.00 0.00 -0.011 C ATOM 28 C LIG 1 -2.548 -1.554 4.148 0.00 0.00 +0.013 C ATOM 29 C LIG 1 -1.416 0.645 3.811 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -0.070 -1.448 3.840 0.00 0.00 +0.013 C ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 N LIG 1 -2.824 -0.370 1.360 0.00 0.00 -0.302 N ATOM 32 H LIG 1 -3.601 -1.020 1.293 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 -2.871 0.816 0.653 0.00 0.00 +0.230 C ATOM 34 O LIG 1 -1.905 1.573 0.591 0.00 0.00 -0.274 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.244 1.075 -0.021 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -4.486 0.085 -1.162 0.00 0.00 +0.034 C BRANCH 35 37 ATOM 37 N LIG 1 -4.436 2.491 -0.411 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 -5.422 2.641 -0.619 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 -3.653 2.910 -1.567 0.00 0.00 +0.101 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 26 31 ENDBRANCH 3 26 TORSDOF 10