REMARK Name = BDB056306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.162 -0.382 1.052 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.788 -1.281 0.050 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -0.422 -1.121 -0.638 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.260 -0.049 -0.255 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -0.866 0.864 0.739 0.00 0.00 +0.015 A ATOM 6 C LIG 1 0.341 0.686 1.408 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 2.376 -1.077 2.884 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.436 -0.580 1.763 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.623 -0.203 1.127 0.00 0.00 -0.297 N ATOM 10 C LIG 1 4.837 -0.261 1.939 0.00 0.00 +0.109 C ATOM 11 C LIG 1 6.104 -0.414 1.105 0.00 0.00 +0.038 C ATOM 12 C LIG 1 6.168 0.653 0.002 0.00 0.00 +0.060 C ATOM 13 C LIG 1 4.910 0.534 -0.872 0.00 0.00 +0.038 C ATOM 14 C LIG 1 3.653 0.704 -0.023 0.00 0.00 +0.109 C BRANCH 12 15 ATOM 15 N LIG 1 7.454 0.577 -0.698 0.00 0.00 -0.299 NA ATOM 16 C LIG 1 7.787 1.765 -1.482 0.00 0.00 +0.085 C ATOM 17 C LIG 1 8.998 1.327 -2.297 0.00 0.00 +0.017 C ATOM 18 C LIG 1 8.995 -0.195 -2.235 0.00 0.00 +0.017 C ATOM 19 C LIG 1 7.665 -0.556 -1.593 0.00 0.00 +0.085 C ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 C LIG 1 -2.552 0.165 -0.956 0.00 0.00 +0.248 C ATOM 21 N LIG 1 -3.712 0.391 -0.213 0.00 0.00 -0.297 N ATOM 22 C LIG 1 -3.916 -0.059 1.161 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -4.629 1.009 1.991 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -5.630 1.846 1.159 0.00 0.00 +0.060 C ATOM 25 C LIG 1 -6.115 1.047 -0.060 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -4.926 0.702 -0.962 0.00 0.00 +0.109 C ATOM 27 O LIG 1 -2.541 0.150 -2.187 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 N LIG 1 -6.664 2.420 2.033 0.00 0.00 -0.299 NA ATOM 29 C LIG 1 -7.707 1.508 2.495 0.00 0.00 +0.085 C ATOM 30 C LIG 1 -8.711 2.454 3.138 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -8.529 3.782 2.412 0.00 0.00 +0.017 C ATOM 32 C LIG 1 -7.378 3.552 1.443 0.00 0.00 +0.085 C ENDBRANCH 24 28 ENDBRANCH 4 20 BRANCH 3 33 ATOM 33 N LIG 1 -0.823 -2.016 -1.651 0.00 0.00 -0.314 N ATOM 34 H LIG 1 -1.473 -1.595 -2.321 0.00 0.00 +0.152 HD BRANCH 33 35 ATOM 35 C LIG 1 -0.528 -3.364 -1.902 0.00 0.00 +0.031 A ATOM 36 C LIG 1 -0.101 -4.251 -0.908 0.00 0.00 +0.023 A ATOM 37 C LIG 1 0.220 -5.576 -1.216 0.00 0.00 +0.002 A ATOM 38 C LIG 1 0.127 -6.031 -2.529 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -0.289 -5.162 -3.533 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -0.613 -3.839 -3.220 0.00 0.00 +0.023 A ENDBRANCH 33 35 ENDBRANCH 3 33 TORSDOF 6