REMARK Name = BDB024462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.113 -2.208 2.854 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -0.478 -1.091 3.422 0.00 0.00 -0.308 N ATOM 3 H LIG 1 0.139 -0.413 3.850 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.518 -3.228 2.600 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.483 -0.932 1.862 0.00 0.00 +0.123 A ATOM 6 N LIG 1 4.211 -2.051 1.990 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 3.576 -3.159 2.401 0.00 0.00 +0.224 A ATOM 8 N LIG 1 2.281 -3.250 2.703 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.578 -2.111 2.557 0.00 0.00 +0.130 A ATOM 10 C LIG 1 2.131 -0.919 2.136 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 4.069 0.257 1.388 0.00 0.00 -0.326 N ATOM 12 H LIG 1 3.854 1.004 2.045 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 7.265 1.776 -3.624 0.00 0.00 +0.109 C ATOM 14 C LIG 1 7.680 2.071 -2.205 0.00 0.00 +0.212 C ATOM 15 N LIG 1 6.968 1.440 -1.194 0.00 0.00 -0.302 N ATOM 16 C LIG 1 5.899 0.467 -1.421 0.00 0.00 +0.109 C ATOM 17 C LIG 1 5.762 -0.511 -0.261 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.512 0.200 1.082 0.00 0.00 +0.075 C ATOM 19 C LIG 1 6.063 1.638 1.085 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.288 1.767 0.192 0.00 0.00 +0.109 C ATOM 21 O LIG 1 8.616 2.838 -1.978 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.847 -1.110 3.937 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.970 -1.389 2.910 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -3.099 -2.801 2.698 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.194 -3.156 2.542 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -2.754 -0.642 1.571 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.986 -0.342 0.805 0.00 0.00 -0.294 NA ATOM 28 C LIG 1 -3.634 0.478 -0.380 0.00 0.00 +0.138 C ATOM 29 C LIG 1 -4.809 0.625 -1.280 0.00 0.00 +0.034 A ATOM 30 N LIG 1 -4.950 1.560 -2.265 0.00 0.00 -0.357 N ATOM 31 H LIG 1 -4.286 2.286 -2.491 0.00 0.00 +0.166 HD ATOM 32 C LIG 1 -6.150 1.369 -2.921 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -6.785 0.277 -2.321 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -8.043 -0.126 -2.808 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -8.621 0.571 -3.875 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.965 1.656 -4.455 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -6.716 2.076 -3.989 0.00 0.00 +0.026 A ATOM 38 C LIG 1 -5.926 -0.180 -1.288 0.00 0.00 -0.017 A ATOM 39 C LIG 1 -6.072 -1.282 -0.300 0.00 0.00 +0.053 C ATOM 40 C LIG 1 -4.717 -1.574 0.402 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8