REMARK Name = BDB016709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.517 1.252 1.854 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.079 0.974 3.162 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.713 0.759 3.385 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.754 0.829 2.381 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.514 0.553 3.039 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.703 0.290 4.341 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.187 1.113 1.073 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.021 0.452 4.522 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.395 0.324 5.455 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.554 1.329 0.834 0.00 0.00 +0.005 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -8.544 0.648 -2.647 0.00 0.00 +0.138 C ATOM 12 N LIG 1 -7.743 0.406 -1.478 0.00 0.00 -0.273 N ATOM 13 C LIG 1 -6.869 -0.690 -1.333 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -6.265 -0.633 -0.065 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -5.381 -1.636 0.310 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -5.101 -2.666 -0.593 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.707 -2.698 -1.859 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.781 0.589 0.640 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -5.977 1.496 1.552 0.00 0.00 +0.040 C ATOM 20 C LIG 1 -7.052 0.590 2.118 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.607 -1.702 -2.240 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -7.757 1.202 -0.339 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -8.410 2.210 -0.119 0.00 0.00 -0.274 OA ENDBRANCH 1 19 BRANCH 5 24 ATOM 24 C LIG 1 0.797 0.505 2.463 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.246 1.237 1.429 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.612 1.150 0.895 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.733 1.037 1.726 0.00 0.00 +0.008 A ATOM 28 C LIG 1 5.021 0.984 1.183 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.213 1.053 -0.203 0.00 0.00 -0.033 A ATOM 30 C LIG 1 4.091 1.186 -1.032 0.00 0.00 +0.005 A ATOM 31 C LIG 1 2.804 1.238 -0.488 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 6.606 1.008 -0.795 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.810 -0.103 -1.741 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 6.658 -1.412 -1.082 0.00 0.00 +0.085 C ATOM 35 C LIG 1 7.313 -2.540 -1.877 0.00 0.00 +0.015 C ATOM 36 C LIG 1 8.819 -2.325 -2.007 0.00 0.00 +0.002 C ATOM 37 C LIG 1 9.200 -0.846 -1.948 0.00 0.00 +0.015 C ATOM 38 C LIG 1 8.075 0.039 -2.478 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5