REMARK Name = BDB015167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.722 0.676 1.266 0.00 0.00 +0.166 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.935 1.758 2.181 0.00 0.00 -0.387 OA ATOM 3 H LIG 1 -0.874 1.388 3.078 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.787 1.188 -0.177 0.00 0.00 +0.261 C BRANCH 4 5 ATOM 5 O LIG 1 -0.600 0.153 -1.142 0.00 0.00 -0.489 OA BRANCH 5 8 ATOM 6 C LIG 1 3.102 -0.297 -1.273 0.00 0.00 -0.014 A ATOM 7 C LIG 1 1.856 0.287 -0.973 0.00 0.00 +0.054 A ATOM 8 C LIG 1 0.662 -0.315 -1.374 0.00 0.00 +0.121 A ATOM 9 C LIG 1 0.708 -1.509 -2.095 0.00 0.00 +0.045 A ATOM 10 C LIG 1 1.928 -2.104 -2.405 0.00 0.00 +0.004 A ATOM 11 C LIG 1 3.117 -1.502 -1.995 0.00 0.00 +0.009 A BRANCH 6 18 ATOM 12 C LIG 1 7.741 -1.405 1.694 0.00 0.00 +0.150 C ATOM 13 N LIG 1 7.547 -0.115 1.083 0.00 0.00 -0.333 N ATOM 14 C LIG 1 6.462 0.272 0.336 0.00 0.00 +0.069 A ATOM 15 C LIG 1 6.750 1.586 -0.019 0.00 0.00 +0.089 A ATOM 16 C LIG 1 5.834 2.301 -0.801 0.00 0.00 +0.030 A ATOM 17 C LIG 1 4.648 1.667 -1.201 0.00 0.00 +0.011 A ATOM 18 C LIG 1 4.358 0.339 -0.840 0.00 0.00 -0.016 A ATOM 19 N LIG 1 7.963 1.981 0.491 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 5.284 -0.379 -0.055 0.00 0.00 +0.036 A ATOM 21 C LIG 1 8.416 0.937 1.147 0.00 0.00 +0.200 A ENDBRANCH 6 18 ENDBRANCH 5 8 ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 -1.638 -0.532 1.586 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -3.094 -0.448 1.474 0.00 0.00 -0.292 NA ATOM 24 C LIG 1 -3.673 -0.744 0.153 0.00 0.00 +0.096 C ATOM 25 C LIG 1 -4.329 0.453 -0.532 0.00 0.00 -0.027 A ATOM 26 C LIG 1 -4.583 1.656 0.146 0.00 0.00 -0.041 A ATOM 27 C LIG 1 -5.200 2.723 -0.527 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -5.569 2.599 -1.865 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.311 1.415 -2.548 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.110 1.855 1.560 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -4.692 0.353 -1.889 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.798 0.540 2.275 0.00 0.00 +0.090 C BRANCH 24 33 ATOM 33 C LIG 1 -4.705 -1.879 0.317 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 C LIG 1 -4.044 -3.216 0.568 0.00 0.00 +0.212 C ATOM 35 O LIG 1 -2.962 -3.562 0.108 0.00 0.00 -0.276 OA ATOM 36 N LIG 1 -4.798 -4.096 1.294 0.00 0.00 -0.329 N ATOM 37 H LIG 1 -5.544 -3.772 1.894 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -4.345 -4.967 1.540 0.00 0.00 +0.145 HD ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 9