REMARK Name = BDB051170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.666 0.081 0.330 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.458 0.612 1.698 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 0.897 1.532 1.770 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -0.537 0.783 1.850 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 2.170 -0.308 0.215 0.00 0.00 +0.132 C BRANCH 5 6 ATOM 6 O LIG 1 2.525 -1.072 1.381 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 1.916 -0.730 2.074 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 2.490 -1.123 -1.046 0.00 0.00 +0.045 C BRANCH 8 9 ATOM 9 C LIG 1 3.838 -1.868 -1.033 0.00 0.00 +0.074 C ATOM 10 C LIG 1 4.019 -2.636 -2.345 0.00 0.00 +0.017 C BRANCH 9 13 ATOM 11 N LIG 1 5.203 -0.576 0.505 0.00 0.00 -0.315 N ATOM 12 H LIG 1 4.531 -0.926 1.188 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 5.014 -0.920 -0.814 0.00 0.00 +0.216 C ATOM 14 O LIG 1 5.710 -0.488 -1.728 0.00 0.00 -0.276 OA BRANCH 11 15 ATOM 15 C LIG 1 6.267 0.298 0.942 0.00 0.00 +0.104 C BRANCH 15 16 ATOM 16 C LIG 1 7.573 -0.467 1.143 0.00 0.00 +0.018 C BRANCH 16 18 ATOM 17 C LIG 1 9.989 -0.301 1.838 0.00 0.00 +0.004 C ATOM 18 C LIG 1 8.687 0.456 1.634 0.00 0.00 -0.002 C ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 0.239 1.098 -0.749 0.00 0.00 +0.025 C BRANCH 19 20 ATOM 20 C LIG 1 -1.290 1.398 -0.803 0.00 0.00 +0.000 C BRANCH 20 21 ATOM 21 C LIG 1 -1.607 2.767 -1.534 0.00 0.00 -0.035 C ATOM 22 C LIG 1 -0.976 2.844 -2.938 0.00 0.00 +0.011 C ATOM 23 C LIG 1 -1.067 3.951 -0.697 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -3.128 2.987 -1.674 0.00 0.00 +0.011 C ENDBRANCH 20 21 BRANCH 20 25 ATOM 25 C LIG 1 -2.027 0.167 -1.419 0.00 0.00 +0.039 C BRANCH 25 26 ATOM 26 C LIG 1 -3.283 -0.250 -0.683 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -3.225 -0.714 0.633 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -4.388 -1.110 1.304 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.649 -1.070 0.681 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -5.689 -0.624 -0.648 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.526 -0.227 -1.320 0.00 0.00 +0.004 A BRANCH 29 32 ATOM 32 C LIG 1 -6.905 -1.513 1.450 0.00 0.00 -0.013 C ATOM 33 C LIG 1 -7.079 -0.638 2.711 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -6.761 -2.991 1.873 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -8.212 -1.396 0.632 0.00 0.00 +0.015 C ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 15