REMARK Name = BDB011387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.405 -0.866 -0.676 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.438 0.128 -0.508 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.779 -0.484 -0.599 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.203 -0.078 -0.486 0.00 0.00 +0.154 C ATOM 5 N LIG 1 -2.841 -1.406 -0.733 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.904 -2.430 -0.998 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -2.122 -3.583 -1.326 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.618 -1.810 -0.866 0.00 0.00 +0.060 A ATOM 9 C LIG 1 0.747 -2.074 -0.925 0.00 0.00 +0.041 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.585 -0.668 0.564 0.00 0.00 +0.228 A ATOM 11 C LIG 1 2.850 -0.673 -0.605 0.00 0.00 +0.078 A ATOM 12 C LIG 1 3.615 -0.546 -1.741 0.00 0.00 +0.129 A ATOM 13 N LIG 1 4.953 -0.377 -1.738 0.00 0.00 -0.222 NA ATOM 14 C LIG 1 5.582 -0.355 -0.550 0.00 0.00 +0.220 A ATOM 15 N LIG 1 4.923 -0.497 0.612 0.00 0.00 -0.179 NA BRANCH 14 16 ATOM 16 N LIG 1 6.968 -0.206 -0.523 0.00 0.00 -0.306 N ATOM 17 C LIG 1 7.505 0.266 0.742 0.00 0.00 +0.132 C ATOM 18 C LIG 1 7.542 0.357 -1.734 0.00 0.00 +0.132 C ENDBRANCH 14 16 BRANCH 10 20 ATOM 19 C LIG 1 3.743 -0.949 2.890 0.00 0.00 +0.279 C ATOM 20 O LIG 1 2.894 -0.836 1.753 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -4.231 -1.574 -1.165 0.00 0.00 +0.082 C ATOM 22 C LIG 1 -5.246 -0.728 -0.402 0.00 0.00 +0.050 C ATOM 23 C LIG 1 -6.666 -1.062 -0.855 0.00 0.00 +0.161 C ATOM 24 O LIG 1 -6.739 -1.526 -2.204 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.786 -0.909 -3.058 0.00 0.00 +0.161 C ATOM 26 C LIG 1 -4.376 -1.347 -2.680 0.00 0.00 +0.050 C ENDBRANCH 5 21 BRANCH 4 27 ATOM 27 C LIG 1 -2.549 0.504 0.872 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -2.997 1.831 0.972 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -3.303 2.389 2.217 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -3.164 1.628 3.382 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -2.718 0.308 3.296 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -2.413 -0.249 2.051 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 C LIG 1 -3.475 2.203 4.658 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -3.728 2.676 5.687 0.00 0.00 -0.191 NA ENDBRANCH 30 33 ENDBRANCH 4 27 BRANCH 2 35 ATOM 35 C LIG 1 0.616 1.566 -0.300 0.00 0.00 +0.081 C ATOM 36 C LIG 1 1.486 2.245 -1.358 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.071 1.911 1.117 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 7