REMARK Name = BDB052509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.766 -1.763 -2.233 0.00 0.00 -0.283 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.851 -2.428 -1.475 0.00 0.00 +0.181 C BRANCH 2 5 ATOM 3 N LIG 1 -2.529 -0.420 -0.321 0.00 0.00 -0.284 N ATOM 4 H LIG 1 -1.539 -0.459 -0.087 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 -2.968 -1.425 -1.168 0.00 0.00 +0.231 C ATOM 6 O LIG 1 -4.100 -1.590 -1.617 0.00 0.00 -0.274 OA BRANCH 3 12 ATOM 7 C LIG 1 -5.542 3.831 2.083 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -4.740 2.746 1.427 0.00 0.00 -0.050 A ATOM 9 C LIG 1 -3.438 2.459 1.851 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -2.690 1.421 1.268 0.00 0.00 -0.029 A ATOM 11 C LIG 1 -1.290 1.173 1.775 0.00 0.00 +0.045 C ATOM 12 C LIG 1 -3.275 0.637 0.248 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -4.580 0.926 -0.163 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -5.303 1.972 0.414 0.00 0.00 +0.005 A ENDBRANCH 3 12 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 -1.162 -1.624 -3.646 0.00 0.00 +0.159 C BRANCH 15 16 ATOM 16 C LIG 1 -0.217 -0.795 -4.454 0.00 0.00 +0.119 A ATOM 17 O LIG 1 -0.066 0.514 -4.099 0.00 0.00 -0.467 OA ATOM 18 C LIG 1 0.803 1.062 -4.980 0.00 0.00 +0.195 A ATOM 19 C LIG 1 1.224 0.126 -5.891 0.00 0.00 +0.041 A ATOM 20 C LIG 1 0.565 -1.075 -5.555 0.00 0.00 +0.046 A ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 1 21 ATOM 21 C LIG 1 0.499 -2.492 -2.068 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 C LIG 1 1.192 -2.080 -0.782 0.00 0.00 -0.033 A ATOM 23 C LIG 1 1.507 -0.729 -0.565 0.00 0.00 +0.008 A ATOM 24 C LIG 1 2.157 -0.320 0.606 0.00 0.00 +0.046 A ATOM 25 C LIG 1 2.514 -1.257 1.571 0.00 0.00 +0.122 A ATOM 26 C LIG 1 2.188 -2.602 1.365 0.00 0.00 +0.046 A ATOM 27 C LIG 1 1.541 -3.017 0.196 0.00 0.00 +0.008 A BRANCH 25 28 ATOM 28 O LIG 1 3.146 -1.007 2.753 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 3.953 0.170 2.947 0.00 0.00 +0.200 C ATOM 30 C LIG 1 5.058 0.282 1.879 0.00 0.00 +0.067 C ATOM 31 C LIG 1 4.631 -0.087 4.309 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 3.136 1.476 3.117 0.00 0.00 +0.348 C ATOM 33 O LIG 1 1.916 1.528 3.219 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 3.878 2.610 3.183 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 4.845 2.494 3.193 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11