REMARK Name = BDB060938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.019 -0.477 -0.097 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -0.894 0.388 0.484 0.00 0.00 +0.126 A ATOM 3 N LIG 1 -2.092 -0.305 0.495 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.853 -1.524 -0.128 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -2.951 -2.421 -0.261 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -4.176 -2.099 0.222 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -4.368 -0.803 0.890 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.337 0.050 1.010 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.593 -1.648 -0.487 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.284 -2.994 0.091 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.046 -3.511 1.115 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -6.037 -3.389 2.585 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.005 -4.320 0.589 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -6.884 -4.352 -0.787 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.850 -3.554 -1.084 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.452 -3.356 -2.497 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -0.757 1.638 1.031 0.00 0.00 -0.326 N ATOM 18 H LIG 1 0.107 1.712 1.573 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -0.756 2.780 0.084 0.00 0.00 +0.072 C ATOM 20 C LIG 1 -2.138 3.022 -0.530 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -2.125 4.179 -1.535 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -1.057 5.233 -1.246 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -0.778 5.352 0.244 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -0.274 4.036 0.839 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 1.477 -0.289 -0.330 0.00 0.00 +0.063 C BRANCH 25 26 ATOM 26 C LIG 1 2.312 -0.882 0.806 0.00 0.00 +0.041 C BRANCH 26 30 ATOM 27 C LIG 1 6.536 -0.263 0.115 0.00 0.00 +0.161 A ATOM 28 C LIG 1 5.881 -1.367 -0.465 0.00 0.00 +0.162 A ATOM 29 C LIG 1 4.514 -1.562 -0.229 0.00 0.00 +0.053 A ATOM 30 C LIG 1 3.790 -0.673 0.580 0.00 0.00 -0.043 A ATOM 31 C LIG 1 4.448 0.421 1.147 0.00 0.00 +0.007 A ATOM 32 C LIG 1 5.811 0.624 0.918 0.00 0.00 +0.049 A BRANCH 27 34 ATOM 33 C LIG 1 8.574 0.947 0.424 0.00 0.00 +0.277 C ATOM 34 O LIG 1 7.875 -0.139 -0.165 0.00 0.00 -0.491 OA ENDBRANCH 27 34 BRANCH 28 35 ATOM 35 O LIG 1 6.659 -2.190 -1.243 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 6.042 -3.336 -1.811 0.00 0.00 +0.277 C ENDBRANCH 28 35 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8