REMARK Name = BDB045264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.309 -0.510 2.586 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.625 -0.887 1.613 0.00 0.00 -0.295 N ATOM 3 O LIG 1 0.031 0.155 3.582 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 3.803 -0.739 1.191 0.00 0.00 +0.163 A ATOM 5 C LIG 1 4.417 -1.574 2.152 0.00 0.00 +0.162 A ATOM 6 C LIG 1 3.674 -2.043 3.243 0.00 0.00 +0.050 A ATOM 7 C LIG 1 2.329 -1.697 3.379 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.724 -0.892 2.416 0.00 0.00 +0.041 A ATOM 9 C LIG 1 2.458 -0.390 1.335 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 5.741 -1.869 1.933 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 6.413 -2.648 2.911 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 4.606 -0.319 0.159 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 4.022 0.511 -0.846 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 5.104 0.813 -1.879 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 4.570 1.625 -3.052 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 4.827 3.852 -2.259 0.00 0.00 +0.193 C ATOM 17 O LIG 1 3.920 2.826 -2.642 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 -0.388 -1.986 0.642 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -0.990 -1.715 -0.737 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -0.870 -3.326 1.205 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 -2.008 -0.417 1.805 0.00 0.00 +0.115 C BRANCH 21 22 ATOM 22 C LIG 1 -2.279 0.921 1.109 0.00 0.00 +0.042 C ATOM 23 C LIG 1 -3.778 1.282 1.094 0.00 0.00 +0.093 C ATOM 24 C LIG 1 -3.830 2.739 1.579 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -2.469 3.243 1.375 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 -2.292 4.049 1.974 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -1.622 2.117 1.792 0.00 0.00 +0.088 C BRANCH 23 28 ATOM 28 N LIG 1 -4.317 1.150 -0.256 0.00 0.00 -0.307 N ATOM 29 H LIG 1 -4.175 1.933 -0.880 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 -4.785 -0.053 -0.736 0.00 0.00 +0.244 C ATOM 31 O LIG 1 -4.920 -1.050 -0.035 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -5.144 -0.101 -2.180 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -6.150 -0.991 -2.580 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -6.519 -1.077 -3.923 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.879 -0.282 -4.873 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.864 0.593 -4.484 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.492 0.683 -3.140 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 12