REMARK Name = BDB039366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.865 -4.444 -2.862 0.00 0.00 +0.150 C ATOM 2 N LIG 1 1.765 -3.323 -2.739 0.00 0.00 -0.335 N ATOM 3 C LIG 1 1.460 -2.155 -2.086 0.00 0.00 +0.141 A ATOM 4 C LIG 1 2.571 -1.321 -2.169 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.491 -0.051 -1.562 0.00 0.00 -0.021 A ATOM 6 C LIG 1 1.278 0.246 -0.911 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.228 -0.678 -0.884 0.00 0.00 +0.074 A ATOM 8 C LIG 1 3.563 -2.033 -2.900 0.00 0.00 +0.029 A ATOM 9 N LIG 1 0.286 -1.893 -1.480 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 3.039 -3.262 -3.240 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.054 -0.382 -0.206 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.274 -0.807 -0.778 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -3.468 -0.521 -0.136 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -4.867 -0.833 -0.543 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.646 -0.345 0.589 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -4.857 0.341 1.501 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -5.206 0.982 2.473 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -3.466 0.179 1.065 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -2.306 0.615 1.670 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.097 0.324 1.027 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -7.099 -0.246 0.521 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -7.537 1.102 -0.075 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -6.880 1.720 -0.912 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -8.787 1.545 0.291 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -9.088 2.413 -0.131 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -9.722 0.894 1.056 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -10.861 1.336 1.176 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -9.304 -0.428 1.657 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.798 -0.493 1.858 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 3.613 0.963 -1.589 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.787 0.564 -0.797 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 4.467 0.398 0.631 0.00 0.00 +0.085 C ATOM 33 C LIG 1 5.732 0.379 1.488 0.00 0.00 +0.027 C ATOM 34 C LIG 1 6.441 1.732 1.392 0.00 0.00 +0.020 C ATOM 35 C LIG 1 6.329 2.650 2.629 0.00 0.00 +0.169 C ATOM 36 O LIG 1 7.770 2.799 2.688 0.00 0.00 -0.379 OA ATOM 37 C LIG 1 7.933 1.674 1.790 0.00 0.00 +0.169 C ATOM 38 C LIG 1 6.156 2.469 0.076 0.00 0.00 +0.027 C ATOM 39 C LIG 1 5.936 1.452 -1.042 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4