REMARK Name = BDB000358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.301 0.869 0.547 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.010 2.257 0.601 0.00 0.00 -0.003 C BRANCH 2 3 ATOM 3 C LIG 1 -0.017 3.450 0.792 0.00 0.00 -0.014 C ATOM 4 C LIG 1 -0.729 4.807 0.880 0.00 0.00 +0.007 C ATOM 5 C LIG 1 0.843 3.281 2.053 0.00 0.00 +0.007 C ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 -1.980 2.495 -0.589 0.00 0.00 +0.039 C BRANCH 6 7 ATOM 7 C LIG 1 -2.990 1.398 -0.851 0.00 0.00 -0.043 A ATOM 8 C LIG 1 -3.878 0.974 0.145 0.00 0.00 +0.053 A ATOM 9 C LIG 1 -4.815 -0.030 -0.123 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -4.868 -0.649 -1.380 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -3.997 -0.212 -2.380 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -3.071 0.805 -2.117 0.00 0.00 +0.007 A BRANCH 10 13 ATOM 13 O LIG 1 -5.819 -1.621 -1.549 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -5.627 -2.513 -2.638 0.00 0.00 +0.277 C ENDBRANCH 10 13 BRANCH 9 15 ATOM 15 O LIG 1 -5.646 -0.470 0.879 0.00 0.00 -0.488 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.634 0.517 1.189 0.00 0.00 +0.231 C BRANCH 16 17 ATOM 17 C LIG 1 -7.786 -0.114 1.971 0.00 0.00 +0.069 C BRANCH 17 18 ATOM 18 C LIG 1 -8.549 -1.157 1.156 0.00 0.00 +0.163 C BRANCH 18 19 ATOM 19 O LIG 1 -7.922 -2.433 1.290 0.00 0.00 -0.383 OA ATOM 20 C LIG 1 -8.525 -3.404 0.449 0.00 0.00 +0.193 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 6 7 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 0.880 0.685 -0.436 0.00 0.00 +0.080 C BRANCH 21 22 ATOM 22 N LIG 1 0.434 0.891 -1.822 0.00 0.00 -0.325 NA ATOM 23 H LIG 1 -0.093 0.052 -2.095 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 1.246 0.869 -2.441 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 1.502 -0.741 -0.265 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 0.632 -1.708 -0.883 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -0.218 -1.689 -0.409 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 2.887 -0.900 -0.920 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 4.067 -0.741 0.059 0.00 0.00 +0.074 C ATOM 30 C LIG 1 4.144 0.647 0.694 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 6.442 -1.262 0.222 0.00 0.00 -0.315 N ATOM 32 H LIG 1 6.211 -1.500 1.177 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 5.389 -1.049 -0.647 0.00 0.00 +0.216 C ATOM 34 O LIG 1 5.512 -1.081 -1.867 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 7.737 -1.677 -0.281 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 8.803 -1.585 0.804 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 10.827 -1.211 -0.696 0.00 0.00 +0.004 C ATOM 38 C LIG 1 10.171 -2.095 0.350 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 20