REMARK Name = BDB011537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.813 -1.473 -0.485 0.00 0.00 +0.197 C ATOM 2 C LIG 1 0.796 -0.958 0.516 0.00 0.00 +0.244 C ATOM 3 O LIG 1 1.108 -0.022 1.266 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.454 -1.573 0.570 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -0.851 -2.767 -0.156 0.00 0.00 +0.079 A ATOM 6 C LIG 1 0.013 -3.733 -0.719 0.00 0.00 +0.142 A ATOM 7 C LIG 1 -0.513 -4.846 -1.412 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -1.879 -5.046 -1.556 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -2.745 -4.124 -1.004 0.00 0.00 +0.002 A ATOM 10 O LIG 1 1.378 -3.825 -0.708 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 -2.237 -3.014 -0.321 0.00 0.00 +0.027 A ATOM 12 C LIG 1 2.139 -2.868 -0.000 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.014 0.512 -1.310 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.983 -0.585 -0.454 0.00 0.00 -0.300 N ATOM 15 H LIG 1 3.329 -0.380 0.478 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 2.200 0.676 -2.213 0.00 0.00 -0.274 OA BRANCH 13 18 ATOM 17 C LIG 1 4.186 2.652 -1.978 0.00 0.00 +0.034 C ATOM 18 C LIG 1 4.153 1.507 -0.970 0.00 0.00 +0.137 C BRANCH 18 19 ATOM 19 N LIG 1 5.442 0.772 -0.969 0.00 0.00 -0.303 NA ATOM 20 H LIG 1 5.269 -0.186 -0.660 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 6.432 1.404 -0.077 0.00 0.00 +0.115 C BRANCH 21 22 ATOM 22 C LIG 1 7.809 0.697 -0.188 0.00 0.00 +0.073 C ATOM 23 C LIG 1 8.876 1.494 0.561 0.00 0.00 +0.042 C ATOM 24 C LIG 1 7.769 -0.743 0.331 0.00 0.00 +0.042 C BRANCH 22 25 ATOM 25 O LIG 1 8.185 0.653 -1.570 0.00 0.00 -0.388 OA ATOM 26 H LIG 1 7.343 0.556 -2.061 0.00 0.00 +0.210 HD ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 1 14 BRANCH 4 27 ATOM 27 C LIG 1 -1.420 -0.931 1.484 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 -2.348 0.089 0.843 0.00 0.00 -0.019 A ATOM 29 C LIG 1 -3.714 0.201 1.212 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -4.549 -0.446 2.145 0.00 0.00 +0.143 A ATOM 31 N LIG 1 -5.795 0.015 2.138 0.00 0.00 -0.174 NA ATOM 32 N LIG 1 -5.813 0.956 1.165 0.00 0.00 -0.231 N ATOM 33 C LIG 1 -4.546 1.147 0.607 0.00 0.00 +0.075 A ATOM 34 C LIG 1 -4.041 2.076 -0.318 0.00 0.00 +0.028 A ATOM 35 C LIG 1 -2.693 1.990 -0.664 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -1.868 1.019 -0.103 0.00 0.00 +0.006 A BRANCH 32 37 ATOM 37 C LIG 1 -7.056 1.548 0.791 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -8.099 1.719 1.725 0.00 0.00 +0.077 A ATOM 39 C LIG 1 -9.321 2.268 1.294 0.00 0.00 +0.021 A ATOM 40 C LIG 1 -9.514 2.636 -0.037 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -8.488 2.457 -0.958 0.00 0.00 +0.002 A ATOM 42 C LIG 1 -7.267 1.914 -0.551 0.00 0.00 +0.029 A BRANCH 38 43 ATOM 43 C LIG 1 -7.978 1.446 3.133 0.00 0.00 +0.101 C ATOM 44 N LIG 1 -7.951 1.289 4.284 0.00 0.00 -0.191 NA ENDBRANCH 38 43 ENDBRANCH 32 37 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 10