REMARK Name = BDB004774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.145 1.604 -0.145 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.857 1.235 0.280 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.158 0.943 -0.644 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.134 1.007 -2.006 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.414 1.363 -2.441 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.414 1.659 -1.517 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.419 0.583 -0.123 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -1.488 0.586 0.887 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.580 0.338 -0.837 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -2.743 0.462 -2.044 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.743 -0.075 -0.018 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -5.023 0.388 -0.343 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -6.143 0.018 0.411 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -5.864 -0.835 1.488 0.00 0.00 +0.133 A ATOM 15 N LIG 1 -4.641 -1.325 1.831 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 -3.608 -0.942 1.054 0.00 0.00 +0.123 A BRANCH 13 17 ATOM 17 N LIG 1 -7.407 0.470 0.119 0.00 0.00 -0.329 N ATOM 18 C LIG 1 -8.623 -0.033 0.757 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -9.748 0.450 -0.156 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -9.192 1.735 -0.742 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -7.720 1.398 -0.966 0.00 0.00 +0.105 C ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 C LIG 1 3.233 1.896 0.863 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 3.929 0.669 1.238 0.00 0.00 -0.324 N ATOM 24 H LIG 1 3.312 -0.134 1.148 0.00 0.00 +0.148 HD BRANCH 23 28 ATOM 25 C LIG 1 7.729 -2.243 0.475 0.00 0.00 +0.063 A ATOM 26 C LIG 1 7.029 -1.052 0.186 0.00 0.00 +0.088 A ATOM 27 C LIG 1 5.832 -0.810 0.889 0.00 0.00 +0.041 A ATOM 28 C LIG 1 5.139 0.379 0.573 0.00 0.00 +0.130 A ATOM 29 N LIG 1 5.616 1.265 -0.313 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 6.759 0.953 -0.919 0.00 0.00 +0.223 A ATOM 31 C LIG 1 5.383 -1.736 1.866 0.00 0.00 +0.013 A ATOM 32 C LIG 1 6.088 -2.900 2.138 0.00 0.00 +0.002 A ATOM 33 N LIG 1 7.477 -0.158 -0.724 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 7.257 -3.155 1.440 0.00 0.00 +0.015 A BRANCH 25 38 ATOM 35 N LIG 1 9.513 -1.804 -1.160 0.00 0.00 -0.325 N ATOM 36 H LIG 1 9.047 -0.933 -1.396 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 10.383 -2.048 -1.609 0.00 0.00 +0.145 HD ATOM 38 C LIG 1 9.008 -2.629 -0.201 0.00 0.00 +0.244 C ATOM 39 O LIG 1 9.600 -3.664 0.088 0.00 0.00 -0.270 OA ENDBRANCH 25 38 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 7