REMARK Name = BDB001361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.506 -2.681 0.185 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -2.507 -2.157 -0.269 0.00 0.00 +0.249 C ATOM 3 N LIG 1 -2.268 -0.821 -0.524 0.00 0.00 -0.267 N ATOM 4 C LIG 1 -0.926 -0.563 -1.080 0.00 0.00 +0.142 C ATOM 5 C LIG 1 -0.395 -1.987 -1.206 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.777 -2.472 -1.779 0.00 0.00 +0.008 A ATOM 7 C LIG 1 1.012 -3.853 -1.775 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.076 -4.742 -1.221 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -1.114 -4.263 -0.678 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -1.319 -2.894 -0.691 0.00 0.00 +0.044 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.056 0.164 -2.433 0.00 0.00 -0.005 A ATOM 12 C LIG 1 -0.897 1.560 -2.539 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.051 2.223 -3.759 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -1.388 1.508 -4.903 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -1.582 0.132 -4.824 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -1.428 -0.530 -3.603 0.00 0.00 +0.007 A ENDBRANCH 4 11 BRANCH 4 17 ATOM 17 N LIG 1 -0.271 0.217 -0.035 0.00 0.00 -0.281 NA ATOM 18 H LIG 1 -0.685 -0.087 0.853 0.00 0.00 +0.125 HD BRANCH 17 19 ATOM 19 CA LIG 1 1.198 0.157 0.161 0.00 0.00 +0.114 C BRANCH 19 20 ATOM 20 C LIG 1 1.490 0.734 1.585 0.00 0.00 +0.164 C BRANCH 20 21 ATOM 21 C LIG 1 2.939 0.620 2.012 0.00 0.00 -0.018 A ATOM 22 C LIG 1 3.502 -0.621 2.351 0.00 0.00 +0.006 A ATOM 23 C LIG 1 4.841 -0.713 2.730 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.635 0.431 2.772 0.00 0.00 +0.000 A ATOM 25 C LIG 1 5.090 1.669 2.436 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.750 1.764 2.058 0.00 0.00 +0.006 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 O LIG 1 0.692 0.001 2.537 0.00 0.00 -0.386 OA ATOM 28 H LIG 1 0.895 0.385 3.408 0.00 0.00 +0.210 HD ENDBRANCH 20 27 ENDBRANCH 19 20 BRANCH 19 29 ATOM 29 C LIG 1 2.015 0.892 -0.920 0.00 0.00 +0.177 C BRANCH 29 30 ATOM 30 O LIG 1 1.843 2.306 -0.855 0.00 0.00 -0.393 OA ATOM 31 H LIG 1 2.251 2.673 -1.659 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 19 29 ENDBRANCH 17 19 ENDBRANCH 4 17 BRANCH 3 32 ATOM 32 C LIG 1 -3.279 0.201 -0.284 0.00 0.00 +0.145 C BRANCH 32 33 ATOM 33 C LIG 1 -3.176 0.843 1.081 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -3.547 0.135 2.232 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.436 0.722 3.494 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.952 2.022 3.619 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.577 2.736 2.482 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.689 2.151 1.220 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 3 32 TORSDOF 10