REMARK Name = BDB004900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.270 0.044 -2.214 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.720 0.744 -1.505 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.009 0.933 -2.035 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -2.295 0.373 -3.291 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.321 -0.327 -3.999 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.042 -0.489 -3.464 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.675 -0.658 -2.133 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.533 -0.087 -1.597 0.00 0.00 -0.281 N ATOM 9 H LIG 1 1.627 0.353 -0.692 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.817 -1.096 -3.267 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.147 -0.728 0.490 0.00 0.00 +0.030 A ATOM 12 C LIG 1 6.243 -0.516 -0.898 0.00 0.00 +0.024 A ATOM 13 C LIG 1 5.121 -0.500 -1.740 0.00 0.00 +0.015 A ATOM 14 C LIG 1 3.846 -0.686 -1.213 0.00 0.00 +0.037 A ATOM 15 C LIG 1 3.709 -0.919 0.154 0.00 0.00 +0.015 A ATOM 16 C LIG 1 4.844 -0.933 0.982 0.00 0.00 +0.024 A BRANCH 11 17 ATOM 17 N LIG 1 7.263 -0.739 1.319 0.00 0.00 -0.330 N BRANCH 17 19 ATOM 18 C LIG 1 7.118 -2.285 3.235 0.00 0.00 +0.024 C ATOM 19 C LIG 1 7.155 -0.833 2.781 0.00 0.00 +0.102 C ENDBRANCH 17 19 BRANCH 17 20 ATOM 20 C LIG 1 8.632 -0.674 0.786 0.00 0.00 +0.102 C ATOM 21 C LIG 1 9.085 0.770 0.621 0.00 0.00 +0.024 C ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 -3.123 1.670 -1.297 0.00 0.00 +0.099 C ATOM 23 C LIG 1 -2.615 2.722 -0.301 0.00 0.00 +0.033 C BRANCH 22 24 ATOM 24 N LIG 1 -3.923 0.649 -0.617 0.00 0.00 -0.322 N ATOM 25 H LIG 1 -3.427 0.244 0.168 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -5.246 0.961 -0.266 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -6.049 -0.017 0.358 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -7.362 0.364 0.698 0.00 0.00 +0.088 A ATOM 29 C LIG 1 -8.174 -0.594 1.343 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -7.698 -1.890 1.622 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -6.413 -2.262 1.263 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -7.809 1.606 0.405 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -6.975 2.440 -0.225 0.00 0.00 +0.223 A ATOM 34 C LIG 1 -5.596 -1.333 0.634 0.00 0.00 +0.013 A ATOM 35 N LIG 1 -5.719 2.177 -0.576 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 -9.582 -0.321 1.772 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -10.260 -1.177 2.333 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -10.111 0.911 1.530 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -11.065 1.098 1.799 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -9.570 1.624 1.049 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 9