REMARK Name = BDB039229 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.800 -3.425 0.136 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.429 -2.101 -0.018 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.034 -1.769 0.240 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.619 -0.395 -0.219 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.545 0.522 -0.766 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.127 1.789 -1.195 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.796 2.200 -1.076 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.888 1.292 -0.520 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.465 1.342 -0.236 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.831 0.112 0.282 0.00 0.00 +0.199 A ATOM 11 N LIG 1 0.214 -0.670 0.413 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.985 0.109 -0.947 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.278 0.025 -0.097 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.385 -1.002 0.021 0.00 0.00 +0.116 C ATOM 15 O LIG 1 4.007 -4.341 0.325 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -2.116 -0.191 0.625 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -2.271 -1.143 1.734 0.00 0.00 +0.108 C ATOM 18 C LIG 1 -2.053 -2.589 1.282 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -2.559 -2.845 -0.143 0.00 0.00 +0.061 C ATOM 20 C LIG 1 -3.623 -1.817 -0.533 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -3.055 -0.398 -0.497 0.00 0.00 +0.108 C BRANCH 19 22 ATOM 22 C LIG 1 -3.086 -4.265 -0.261 0.00 0.00 +0.162 C ATOM 23 O LIG 1 -4.292 -4.526 -0.305 0.00 0.00 -0.295 OA BRANCH 22 24 ATOM 24 C LIG 1 -2.051 -5.387 -0.292 0.00 0.00 +0.230 C BRANCH 24 25 ATOM 25 O LIG 1 -2.659 -6.644 -0.558 0.00 0.00 -0.388 OA ATOM 26 H LIG 1 -3.616 -6.526 -0.388 0.00 0.00 +0.210 HD ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 28 ATOM 27 C LIG 1 6.566 -4.962 0.200 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.147 -3.605 0.054 0.00 0.00 -0.454 OA ENDBRANCH 1 28 BRANCH 9 29 ATOM 29 C LIG 1 -1.345 2.508 -0.360 0.00 0.00 +0.092 C ATOM 30 C LIG 1 -1.527 2.925 -1.822 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 -0.884 3.660 0.556 0.00 0.00 +0.060 C BRANCH 31 32 ATOM 32 C LIG 1 -1.941 4.723 0.753 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -1.854 5.950 0.083 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -2.841 6.922 0.258 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.921 6.676 1.103 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.016 5.460 1.776 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.031 4.487 1.603 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 9 29 TORSDOF 8