REMARK Name = BDB019438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.508 -0.218 0.316 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.356 -0.218 1.078 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.081 -0.624 0.478 0.00 0.00 +0.164 C ATOM 4 C LIG 1 0.981 -0.317 1.542 0.00 0.00 +0.065 C ATOM 5 C LIG 1 0.327 0.743 2.415 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -1.152 0.353 2.401 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -2.460 -0.524 -0.879 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.097 -2.142 0.205 0.00 0.00 +0.234 C ATOM 9 N LIG 1 0.624 -2.647 -0.840 0.00 0.00 -0.310 N ATOM 10 H LIG 1 0.510 -3.647 -0.943 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -0.675 -2.939 0.951 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 1.147 -1.913 -1.973 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 2.459 -1.237 -1.673 0.00 0.00 -0.030 A ATOM 14 C LIG 1 2.655 0.108 -2.010 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.871 0.741 -1.739 0.00 0.00 +0.004 A ATOM 16 C LIG 1 4.926 0.041 -1.138 0.00 0.00 -0.044 A ATOM 17 C LIG 1 4.732 -1.308 -0.812 0.00 0.00 +0.004 A ATOM 18 C LIG 1 3.516 -1.941 -1.082 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 6.234 0.754 -0.841 0.00 0.00 +0.019 C ATOM 20 C LIG 1 7.451 0.047 -1.455 0.00 0.00 +0.008 C ATOM 21 C LIG 1 8.728 0.876 -1.288 0.00 0.00 +0.001 C ATOM 22 C LIG 1 8.735 1.743 -0.028 0.00 0.00 +0.000 C ATOM 23 C LIG 1 7.891 1.136 1.085 0.00 0.00 +0.001 C ATOM 24 C LIG 1 6.425 0.978 0.673 0.00 0.00 +0.008 C ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 25 ATOM 25 O LIG 1 0.526 2.020 1.807 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 0.050 2.681 2.338 0.00 0.00 +0.210 HD ENDBRANCH 5 25 BRANCH 1 27 ATOM 27 C LIG 1 -3.853 0.070 1.041 0.00 0.00 +0.165 C BRANCH 27 28 ATOM 28 N LIG 1 -4.918 0.626 0.194 0.00 0.00 -0.281 N ATOM 29 C LIG 1 -5.822 1.578 0.640 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -5.868 2.124 1.726 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -6.763 1.820 -0.458 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -6.381 1.031 -1.540 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -7.109 1.059 -2.716 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -8.231 1.894 -2.777 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.607 2.685 -1.675 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.866 2.652 -0.492 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -5.144 0.263 -1.202 0.00 0.00 +0.144 C ENDBRANCH 27 28 BRANCH 27 39 ATOM 38 C LIG 1 -5.342 -0.854 2.917 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -4.286 -1.183 1.858 0.00 0.00 +0.012 C ATOM 40 C LIG 1 -4.773 -2.347 0.992 0.00 0.00 +0.009 C ENDBRANCH 27 39 ENDBRANCH 1 27 TORSDOF 8