REMARK Name = BDB057772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.987 0.117 -0.732 0.00 0.00 +0.011 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.229 -0.809 -0.702 0.00 0.00 +0.096 C BRANCH 2 5 ATOM 3 N LIG 1 2.624 -0.975 -0.644 0.00 0.00 -0.285 N ATOM 4 H LIG 1 2.384 -1.958 -0.626 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 1.567 -0.079 -0.701 0.00 0.00 +0.217 C ATOM 6 O LIG 1 1.649 1.142 -0.748 0.00 0.00 -0.275 OA BRANCH 3 10 ATOM 7 C LIG 1 6.816 -0.258 -0.548 0.00 0.00 -0.043 A ATOM 8 C LIG 1 6.272 -1.550 -0.537 0.00 0.00 +0.006 A ATOM 9 C LIG 1 4.888 -1.760 -0.567 0.00 0.00 +0.023 A ATOM 10 C LIG 1 4.002 -0.679 -0.618 0.00 0.00 +0.033 A ATOM 11 C LIG 1 4.527 0.610 -0.640 0.00 0.00 +0.023 A ATOM 12 C LIG 1 5.913 0.814 -0.609 0.00 0.00 +0.006 A BRANCH 7 14 ATOM 13 C LIG 1 9.157 -0.631 0.568 0.00 0.00 +0.059 C ATOM 14 C LIG 1 8.308 -0.029 -0.532 0.00 0.00 +0.037 C ATOM 15 C LIG 1 8.926 0.847 0.534 0.00 0.00 +0.028 C BRANCH 13 16 ATOM 16 N LIG 1 10.487 -1.157 0.262 0.00 0.00 -0.327 NA ATOM 17 H LIG 1 10.422 -2.101 -0.117 0.00 0.00 +0.118 HD ATOM 18 H LIG 1 10.956 -0.601 -0.452 0.00 0.00 +0.118 HD ENDBRANCH 13 16 ENDBRANCH 7 14 ENDBRANCH 3 10 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -1.226 0.824 0.608 0.00 0.00 +0.019 C BRANCH 19 20 ATOM 20 C LIG 1 -2.412 1.788 0.567 0.00 0.00 +0.104 C BRANCH 20 21 ATOM 21 N LIG 1 -3.685 1.095 0.542 0.00 0.00 -0.311 N ATOM 22 H LIG 1 -4.015 0.673 1.401 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -4.385 0.877 -0.624 0.00 0.00 +0.245 C ATOM 24 O LIG 1 -4.022 1.230 -1.737 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -5.631 0.093 -0.468 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -6.698 0.519 0.370 0.00 0.00 +0.016 A ATOM 27 C LIG 1 -7.820 -0.322 0.503 0.00 0.00 +0.113 A ATOM 28 N LIG 1 -8.882 -0.025 1.283 0.00 0.00 -0.251 NA ATOM 29 C LIG 1 -8.870 1.150 1.947 0.00 0.00 +0.111 A ATOM 30 C LIG 1 -7.837 2.061 1.873 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -7.844 -1.520 -0.209 0.00 0.00 +0.143 A ATOM 32 C LIG 1 -6.817 -1.923 -1.054 0.00 0.00 +0.048 A ATOM 33 C LIG 1 -6.743 1.743 1.076 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.702 -1.108 -1.188 0.00 0.00 +0.017 A BRANCH 31 35 ATOM 35 O LIG 1 -8.935 -2.348 -0.087 0.00 0.00 -0.505 OA ATOM 36 H LIG 1 -9.531 -1.866 0.526 0.00 0.00 +0.292 HD ENDBRANCH 31 35 ENDBRANCH 23 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10