REMARK Name = BDB042020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.437 -1.871 -2.067 0.00 0.00 +0.025 C ATOM 2 C LIG 1 -3.235 -1.017 -1.645 0.00 0.00 +0.069 C ATOM 3 N LIG 1 -3.544 0.156 -0.800 0.00 0.00 -0.284 NA ATOM 4 C LIG 1 -2.322 0.902 -0.420 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -1.956 1.883 -1.548 0.00 0.00 +0.025 C ATOM 6 C LIG 1 -1.101 0.007 -0.028 0.00 0.00 +0.103 C ATOM 7 N LIG 1 -0.830 -1.202 -0.828 0.00 0.00 -0.295 NA ATOM 8 C LIG 1 -2.095 -1.913 -1.090 0.00 0.00 +0.103 C ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 -4.589 0.022 0.253 0.00 0.00 +0.118 C BRANCH 9 10 ATOM 10 C LIG 1 -4.156 -0.721 1.527 0.00 0.00 -0.026 A ATOM 11 C LIG 1 -4.539 -2.061 1.718 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -4.180 -2.758 2.875 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -3.433 -2.129 3.866 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -3.054 -0.800 3.707 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.418 -0.102 2.553 0.00 0.00 +0.005 A ENDBRANCH 9 10 BRANCH 9 16 ATOM 16 C LIG 1 -5.368 1.341 0.493 0.00 0.00 -0.026 A ATOM 17 C LIG 1 -6.064 1.588 1.690 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -6.822 2.750 1.864 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.929 3.677 0.831 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.282 3.439 -0.377 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.524 2.278 -0.547 0.00 0.00 +0.005 A ENDBRANCH 9 16 ENDBRANCH 3 9 BRANCH 7 22 ATOM 22 C LIG 1 -0.068 -0.962 -2.059 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 C LIG 1 1.338 -0.449 -1.806 0.00 0.00 -0.033 A ATOM 24 C LIG 1 2.204 -1.152 -0.946 0.00 0.00 +0.010 A ATOM 25 C LIG 1 3.476 -0.653 -0.731 0.00 0.00 -0.018 A ATOM 26 C LIG 1 4.577 -1.186 0.121 0.00 0.00 +0.144 C ATOM 27 N LIG 1 5.607 -0.163 -0.008 0.00 0.00 -0.282 N ATOM 28 C LIG 1 5.270 0.793 -0.955 0.00 0.00 +0.248 C ATOM 29 O LIG 1 5.954 1.696 -1.395 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 3.891 0.511 -1.370 0.00 0.00 +0.042 A ATOM 31 C LIG 1 3.079 1.219 -2.235 0.00 0.00 +0.014 A ATOM 32 C LIG 1 1.789 0.729 -2.450 0.00 0.00 +0.005 A BRANCH 27 33 ATOM 33 C LIG 1 6.954 -0.379 0.508 0.00 0.00 +0.163 C ATOM 34 C LIG 1 7.838 -1.104 -0.518 0.00 0.00 +0.240 C ATOM 35 O LIG 1 7.407 -1.913 -1.338 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 9.193 -0.900 -0.392 0.00 0.00 -0.255 N ATOM 37 H LIG 1 9.774 -1.421 -1.032 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 9.850 -0.216 0.600 0.00 0.00 +0.219 C ATOM 39 O LIG 1 11.068 -0.287 0.713 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 8.994 0.536 1.591 0.00 0.00 +0.098 C ATOM 41 C LIG 1 7.643 0.896 0.995 0.00 0.00 +0.041 C ENDBRANCH 27 33 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 6