REMARK Name = BDB052285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.958 0.074 2.088 0.00 0.00 +0.100 A ATOM 2 C LIG 1 0.795 -0.615 1.725 0.00 0.00 +0.100 A ATOM 3 N LIG 1 0.436 -1.253 2.890 0.00 0.00 -0.291 N ATOM 4 C LIG 1 1.380 -0.957 3.829 0.00 0.00 +0.178 A ATOM 5 S LIG 1 1.040 -1.737 5.345 0.00 0.00 -0.058 S ATOM 6 C LIG 1 -0.405 -2.450 4.611 0.00 0.00 +0.067 A ATOM 7 C LIG 1 -0.567 -2.099 3.323 0.00 0.00 +0.101 A ATOM 8 N LIG 1 2.332 -0.182 3.400 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 4.951 1.675 0.475 0.00 0.00 +0.034 A ATOM 10 C LIG 1 4.147 0.841 1.265 0.00 0.00 +0.033 A ATOM 11 C LIG 1 2.749 0.954 1.244 0.00 0.00 +0.004 A ATOM 12 C LIG 1 2.154 1.933 0.443 0.00 0.00 +0.010 A ATOM 13 C LIG 1 2.947 2.764 -0.348 0.00 0.00 +0.002 A ATOM 14 C LIG 1 4.339 2.633 -0.334 0.00 0.00 +0.023 A BRANCH 9 17 ATOM 15 O LIG 1 7.172 2.978 -1.035 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 7.337 2.153 -0.140 0.00 0.00 +0.222 C ATOM 17 N LIG 1 6.345 1.498 0.572 0.00 0.00 -0.285 N ATOM 18 H LIG 1 6.655 0.771 1.208 0.00 0.00 +0.155 HD BRANCH 16 19 ATOM 19 C LIG 1 8.737 1.762 0.312 0.00 0.00 +0.131 C BRANCH 19 20 ATOM 20 C LIG 1 9.095 0.336 -0.036 0.00 0.00 -0.039 A ATOM 21 C LIG 1 9.234 -0.046 -1.380 0.00 0.00 +0.004 A ATOM 22 C LIG 1 9.551 -1.363 -1.710 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.735 -2.311 -0.703 0.00 0.00 +0.000 A ATOM 24 C LIG 1 9.605 -1.941 0.637 0.00 0.00 +0.000 A ATOM 25 C LIG 1 9.289 -0.623 0.971 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 C LIG 1 0.067 -0.747 0.473 0.00 0.00 +0.095 A ATOM 27 N LIG 1 -1.271 -0.646 0.594 0.00 0.00 -0.213 NA ATOM 28 C LIG 1 -2.004 -0.754 -0.526 0.00 0.00 +0.220 A ATOM 29 N LIG 1 -1.465 -0.962 -1.734 0.00 0.00 -0.223 NA ATOM 30 C LIG 1 -0.126 -1.058 -1.813 0.00 0.00 +0.116 A ATOM 31 C LIG 1 0.702 -0.959 -0.728 0.00 0.00 +0.050 A BRANCH 28 32 ATOM 32 N LIG 1 -3.374 -0.608 -0.342 0.00 0.00 -0.284 N ATOM 33 H LIG 1 -3.557 -0.367 0.621 0.00 0.00 +0.155 HD BRANCH 32 34 ATOM 34 C LIG 1 -4.485 -0.696 -1.191 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -5.747 -0.312 -0.689 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -6.930 -0.348 -1.453 0.00 0.00 +0.032 A ATOM 37 C LIG 1 -6.803 -0.808 -2.771 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -5.568 -1.191 -3.299 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -4.418 -1.129 -2.514 0.00 0.00 +0.023 A BRANCH 36 40 ATOM 40 N LIG 1 -8.149 0.039 -0.921 0.00 0.00 -0.325 N ATOM 41 C LIG 1 -8.233 0.991 0.199 0.00 0.00 +0.133 C ATOM 42 C LIG 1 -9.512 1.840 0.087 0.00 0.00 +0.178 C ATOM 43 O LIG 1 -10.722 1.070 0.075 0.00 0.00 -0.377 OA ATOM 44 C LIG 1 -10.569 -0.217 -0.538 0.00 0.00 +0.178 C ATOM 45 C LIG 1 -9.428 -0.295 -1.568 0.00 0.00 +0.133 C ENDBRANCH 36 40 ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 2 26 TORSDOF 8