REMARK Name = BDB041438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.188 -1.295 1.659 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.141 -2.470 2.444 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.895 -3.400 2.312 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.722 -4.516 3.201 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.406 -4.413 3.977 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.923 -3.149 1.364 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.925 -1.997 0.567 0.00 0.00 -0.038 A ATOM 8 S LIG 1 -1.272 -2.985 3.651 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.855 -1.105 0.727 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.281 -0.246 1.757 0.00 0.00 +0.121 C BRANCH 10 13 ATOM 11 C LIG 1 -4.806 0.401 0.484 0.00 0.00 +0.007 C ATOM 12 C LIG 1 -3.625 0.248 1.469 0.00 0.00 +0.089 C ATOM 13 N LIG 1 -2.497 -0.567 0.988 0.00 0.00 -0.292 NA ATOM 14 C LIG 1 -2.291 -0.527 -0.468 0.00 0.00 +0.140 C ATOM 15 C LIG 1 -2.112 0.851 -1.065 0.00 0.00 +0.058 A ATOM 16 C LIG 1 -3.166 1.768 -1.103 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -2.909 3.014 -1.698 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -1.646 3.314 -2.195 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -0.663 2.353 -2.090 0.00 0.00 +0.111 A ATOM 20 N LIG 1 -0.867 1.138 -1.542 0.00 0.00 -0.258 NA ATOM 21 C LIG 1 -4.557 1.509 -0.572 0.00 0.00 +0.041 C BRANCH 11 23 ATOM 22 C LIG 1 -7.351 0.749 0.411 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -6.101 0.692 1.281 0.00 0.00 +0.002 C ENDBRANCH 11 23 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 24 ATOM 24 C LIG 1 2.978 -1.723 -0.519 0.00 0.00 +0.061 C BRANCH 24 25 ATOM 25 C LIG 1 3.352 -0.233 -0.600 0.00 0.00 -0.016 A ATOM 26 C LIG 1 3.097 0.547 -1.759 0.00 0.00 -0.014 A ATOM 27 C LIG 1 2.461 -0.021 -2.994 0.00 0.00 +0.046 C ATOM 28 C LIG 1 3.450 1.907 -1.674 0.00 0.00 +0.135 A ATOM 29 N LIG 1 3.328 2.943 -2.567 0.00 0.00 -0.128 NA ATOM 30 N LIG 1 3.805 4.044 -1.995 0.00 0.00 -0.063 NA ATOM 31 N LIG 1 4.227 3.704 -0.759 0.00 0.00 -0.230 N ATOM 32 C LIG 1 4.793 4.696 0.112 0.00 0.00 +0.176 C ATOM 33 C LIG 1 4.028 2.378 -0.505 0.00 0.00 +0.179 A ATOM 34 N LIG 1 4.314 1.689 0.615 0.00 0.00 -0.234 NA ATOM 35 C LIG 1 3.941 0.390 0.517 0.00 0.00 +0.117 A ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 4.296 -2.527 -0.422 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 4.181 -3.929 -0.974 0.00 0.00 +0.306 C ATOM 38 O LIG 1 3.211 -4.390 -1.550 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 5.307 -4.653 -0.770 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 6.026 -4.166 -0.325 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 7 24 TORSDOF 8