REMARK Name = BDB037032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.849 3.623 -1.726 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -0.907 3.001 -2.554 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -0.354 1.812 -2.119 0.00 0.00 +0.056 A ATOM 4 C LIG 1 0.672 0.977 -2.735 0.00 0.00 +0.255 C ATOM 5 N LIG 1 0.861 -0.095 -1.905 0.00 0.00 -0.222 N ATOM 6 C LIG 1 0.085 0.003 -0.781 0.00 0.00 +0.258 C ATOM 7 O LIG 1 0.032 -0.758 0.165 0.00 0.00 -0.269 OA ATOM 8 O LIG 1 1.225 1.225 -3.789 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.712 1.223 -0.922 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -1.651 1.811 -0.100 0.00 0.00 +0.138 A ATOM 11 C LIG 1 -2.210 3.031 -0.500 0.00 0.00 +0.092 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 1.944 -1.052 -2.099 0.00 0.00 +0.172 C ATOM 13 C LIG 1 3.152 -0.632 -1.255 0.00 0.00 +0.252 C ATOM 14 O LIG 1 3.227 0.496 -0.761 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 4.124 -1.606 -1.104 0.00 0.00 -0.143 N ATOM 16 C LIG 1 5.287 -1.200 -0.518 0.00 0.00 +0.416 C ATOM 17 O LIG 1 6.173 -0.603 -1.118 0.00 0.00 -0.225 OA ATOM 18 C LIG 1 4.022 -2.944 -1.432 0.00 0.00 +0.231 C ATOM 19 O LIG 1 4.914 -3.776 -1.249 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 2.747 -3.378 -2.126 0.00 0.00 +0.099 C ATOM 21 C LIG 1 1.570 -2.490 -1.777 0.00 0.00 +0.042 C BRANCH 16 22 ATOM 22 O LIG 1 5.335 -1.580 0.789 0.00 0.00 -0.444 OA BRANCH 22 23 ATOM 23 C LIG 1 6.495 -1.285 1.607 0.00 0.00 +0.107 C ATOM 24 C LIG 1 6.142 -1.841 2.995 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.737 -2.016 1.088 0.00 0.00 +0.055 C ATOM 26 C LIG 1 6.724 0.226 1.732 0.00 0.00 +0.055 C ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 5 12 BRANCH 1 28 ATOM 27 C LIG 1 -3.220 5.534 -1.374 0.00 0.00 +0.277 C ATOM 28 O LIG 1 -2.344 4.798 -2.220 0.00 0.00 -0.495 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 O LIG 1 -1.990 1.309 1.121 0.00 0.00 -0.480 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.906 0.217 1.020 0.00 0.00 +0.349 C BRANCH 30 31 ATOM 31 C LIG 1 -4.364 0.650 1.139 0.00 0.00 +0.346 C ATOM 32 O LIG 1 -4.750 1.791 1.352 0.00 0.00 -0.247 OA BRANCH 31 33 ATOM 33 O LIG 1 -5.165 -0.440 0.961 0.00 0.00 -0.457 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.610 -0.325 1.032 0.00 0.00 +0.105 C ATOM 35 C LIG 1 -7.152 0.635 -0.033 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -7.058 0.069 2.444 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -7.125 -1.740 0.725 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 9