REMARK Name = BDB009183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.027 -0.489 -3.380 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -0.988 -0.612 -2.629 0.00 0.00 +0.222 C ATOM 3 N LIG 1 -1.023 -1.359 -1.461 0.00 0.00 -0.285 N ATOM 4 H LIG 1 -1.885 -1.344 -0.929 0.00 0.00 +0.155 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.296 0.140 -2.874 0.00 0.00 +0.093 C ATOM 6 C LIG 1 -2.322 1.345 -1.924 0.00 0.00 +0.123 C ATOM 7 N LIG 1 -3.338 2.316 -2.313 0.00 0.00 -0.267 N ATOM 8 C LIG 1 -4.207 2.918 -1.419 0.00 0.00 +0.403 C ATOM 9 O LIG 1 -4.990 3.810 -1.723 0.00 0.00 -0.226 OA ATOM 10 C LIG 1 -3.296 2.821 -3.679 0.00 0.00 +0.111 C ATOM 11 C LIG 1 -2.326 2.046 -4.568 0.00 0.00 +0.020 C ATOM 12 C LIG 1 -2.481 0.543 -4.352 0.00 0.00 +0.016 C BRANCH 8 13 ATOM 13 O LIG 1 -4.101 2.401 -0.169 0.00 0.00 -0.445 OA BRANCH 13 14 ATOM 14 C LIG 1 -4.987 2.989 0.785 0.00 0.00 +0.269 C BRANCH 14 15 ATOM 15 C LIG 1 -4.792 2.262 2.091 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -5.712 1.293 2.515 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -5.516 0.610 3.717 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.397 0.883 4.502 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.471 1.837 4.085 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.665 2.522 2.884 0.00 0.00 +0.007 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 2 5 BRANCH 3 21 ATOM 21 C LIG 1 0.011 -2.145 -0.911 0.00 0.00 +0.034 A ATOM 22 C LIG 1 1.255 -2.339 -1.516 0.00 0.00 +0.027 A ATOM 23 C LIG 1 2.244 -3.120 -0.896 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.973 -3.715 0.341 0.00 0.00 +0.004 A ATOM 25 C LIG 1 0.733 -3.536 0.947 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -0.243 -2.756 0.324 0.00 0.00 +0.023 A BRANCH 23 27 ATOM 27 C LIG 1 3.601 -3.283 -1.540 0.00 0.00 +0.041 C BRANCH 27 28 ATOM 28 C LIG 1 4.532 -2.099 -1.272 0.00 0.00 +0.062 C BRANCH 28 29 ATOM 29 C LIG 1 4.936 -2.026 0.196 0.00 0.00 +0.065 A ATOM 30 C LIG 1 4.446 -0.902 1.053 0.00 0.00 -0.016 A ATOM 31 C LIG 1 3.541 0.163 0.500 0.00 0.00 +0.037 C ATOM 32 C LIG 1 2.882 1.026 1.579 0.00 0.00 +0.005 C ATOM 33 C LIG 1 3.881 1.411 2.662 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.477 0.168 3.324 0.00 0.00 +0.041 C ATOM 35 C LIG 1 4.851 -0.902 2.335 0.00 0.00 +0.023 A ATOM 36 C LIG 1 5.721 -1.992 2.842 0.00 0.00 +0.268 A ATOM 37 O LIG 1 6.090 -2.036 4.012 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 6.085 -2.942 1.928 0.00 0.00 -0.243 N ATOM 39 H LIG 1 6.686 -3.693 2.252 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 5.712 -2.978 0.622 0.00 0.00 -0.176 NA ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 3 21 TORSDOF 8