REMARK Name = BDB064205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.197 1.810 -1.004 0.00 0.00 +0.265 C ATOM 2 N LIG 1 1.835 2.131 -1.066 0.00 0.00 -0.296 N ATOM 3 C LIG 1 0.862 1.847 0.000 0.00 0.00 +0.121 C ATOM 4 C LIG 1 -0.538 1.573 -0.561 0.00 0.00 +0.093 C ATOM 5 C LIG 1 -1.043 2.738 -1.429 0.00 0.00 +0.016 C ATOM 6 C LIG 1 0.086 3.565 -2.045 0.00 0.00 +0.020 C ATOM 7 C LIG 1 1.328 2.723 -2.299 0.00 0.00 +0.108 C ATOM 8 O LIG 1 3.909 1.838 -2.012 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 5.606 0.246 1.461 0.00 0.00 +0.033 A ATOM 10 C LIG 1 4.969 0.611 0.270 0.00 0.00 +0.056 A ATOM 11 C LIG 1 3.834 1.421 0.299 0.00 0.00 +0.127 A ATOM 12 N LIG 1 3.303 1.916 1.441 0.00 0.00 -0.250 NA ATOM 13 C LIG 1 3.916 1.560 2.583 0.00 0.00 +0.113 A ATOM 14 C LIG 1 5.039 0.744 2.639 0.00 0.00 +0.043 A BRANCH 9 19 ATOM 15 C LIG 1 9.647 -3.381 0.770 0.00 0.00 +0.105 C ATOM 16 N LIG 1 9.241 -2.207 1.539 0.00 0.00 -0.302 NA ATOM 17 C LIG 1 9.051 -1.023 0.675 0.00 0.00 +0.103 C ATOM 18 C LIG 1 7.589 -0.702 0.280 0.00 0.00 +0.120 C ATOM 19 N LIG 1 6.729 -0.565 1.471 0.00 0.00 -0.327 N ATOM 20 C LIG 1 7.193 -1.247 2.691 0.00 0.00 +0.120 C ATOM 21 C LIG 1 8.027 -2.498 2.329 0.00 0.00 +0.103 C ENDBRANCH 9 19 ENDBRANCH 1 11 BRANCH 4 22 ATOM 22 C LIG 1 -1.521 1.263 0.567 0.00 0.00 +0.222 C ATOM 23 N LIG 1 -2.746 0.821 0.087 0.00 0.00 -0.285 N ATOM 24 H LIG 1 -2.835 0.730 -0.917 0.00 0.00 +0.155 HD ATOM 25 O LIG 1 -1.216 1.399 1.746 0.00 0.00 -0.275 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.888 0.465 0.836 0.00 0.00 +0.034 A ATOM 27 C LIG 1 -5.012 0.029 0.117 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.205 -0.344 0.764 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -6.247 -0.271 2.163 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -5.136 0.160 2.888 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -3.962 0.526 2.226 0.00 0.00 +0.023 A BRANCH 28 32 ATOM 32 C LIG 1 -7.374 -0.796 -0.006 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -7.276 -1.869 -0.907 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -8.386 -2.294 -1.644 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -9.621 -1.657 -1.490 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -9.733 -0.580 -0.605 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -8.619 -0.159 0.130 0.00 0.00 +0.009 A BRANCH 35 38 ATOM 38 C LIG 1 -10.771 -2.143 -2.299 0.00 0.00 +0.242 C ATOM 39 O LIG 1 -10.608 -2.798 -3.320 0.00 0.00 -0.270 OA ATOM 40 N LIG 1 -12.029 -1.863 -1.841 0.00 0.00 -0.325 N ATOM 41 H LIG 1 -12.786 -2.317 -2.338 0.00 0.00 +0.145 HD ATOM 42 H LIG 1 -12.203 -1.594 -0.884 0.00 0.00 +0.145 HD ENDBRANCH 35 38 ENDBRANCH 28 32 ENDBRANCH 23 26 ENDBRANCH 4 22 TORSDOF 6