REMARK Name = BDB031898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.374 -2.606 0.091 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.768 -2.890 1.330 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.443 -2.490 1.537 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.685 -1.835 0.576 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.412 -1.611 1.190 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.390 -2.097 2.435 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 2.277 -1.565 -0.672 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.613 -2.615 2.614 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.823 -3.046 3.506 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.605 -1.960 -0.893 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.070 1.752 0.034 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.994 0.376 0.299 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.734 -0.509 -0.470 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.895 -2.003 -0.460 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.800 -3.017 -0.197 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.907 -2.269 -1.552 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.232 -1.046 -2.111 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.897 -0.951 -2.863 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.338 -3.367 -1.863 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.899 -2.787 0.821 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.555 0.002 -1.485 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.657 1.346 -1.773 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.898 2.229 -0.999 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.304 3.928 0.625 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.292 2.525 0.854 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.593 -0.984 0.533 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -0.421 -0.679 -0.422 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -1.910 -0.643 0.914 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -2.754 0.011 -0.005 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -4.036 0.381 0.229 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 -4.524 0.093 1.460 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -3.771 -0.531 2.450 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -2.457 -0.906 2.167 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 -5.924 0.513 1.802 0.00 0.00 +0.266 C ATOM 35 N LIG 1 -6.909 0.583 0.828 0.00 0.00 -0.286 N ATOM 36 C LIG 1 -6.780 0.598 -0.624 0.00 0.00 +0.102 C ATOM 37 C LIG 1 -6.527 2.067 -1.046 0.00 0.00 +0.182 C ATOM 38 O LIG 1 -7.623 2.927 -0.653 0.00 0.00 -0.376 OA ATOM 39 C LIG 1 -7.972 2.754 0.741 0.00 0.00 +0.182 C ATOM 40 C LIG 1 -8.183 0.152 -1.065 0.00 0.00 +0.027 C ATOM 41 C LIG 1 -9.108 0.587 0.084 0.00 0.00 +0.027 C ATOM 42 C LIG 1 -8.171 1.259 1.094 0.00 0.00 +0.102 C ATOM 43 O LIG 1 -6.183 0.764 2.982 0.00 0.00 -0.268 OA ENDBRANCH 31 34 BRANCH 29 44 ATOM 44 O LIG 1 -2.187 0.273 -1.248 0.00 0.00 -0.478 OA ATOM 45 C LIG 1 -3.031 1.031 -2.107 0.00 0.00 +0.279 C ENDBRANCH 29 44 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6