REMARK Name = BDB041983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.005 -1.724 2.038 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.562 -0.573 -0.141 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.381 -0.014 1.116 0.00 0.00 +0.248 C ATOM 4 O LIG 1 6.160 0.658 1.763 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.024 -0.368 1.547 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.402 -1.048 0.502 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.098 -1.494 0.636 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.423 -1.246 1.846 0.00 0.00 -0.033 A ATOM 9 C LIG 1 2.082 -0.555 2.893 0.00 0.00 +0.005 A ATOM 10 C LIG 1 3.395 -0.104 2.747 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.330 -1.149 -0.660 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.936 1.812 -2.498 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.994 1.216 -1.982 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.725 1.737 -2.017 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.629 2.640 -2.461 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.550 1.125 -1.644 0.00 0.00 +0.240 C ATOM 17 O LIG 1 5.468 1.645 -1.911 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.688 -0.273 -1.020 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.053 -0.430 -0.350 0.00 0.00 +0.041 C ATOM 20 C LIG 1 9.148 -0.155 -1.368 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.946 -0.638 2.348 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -2.276 -1.158 2.724 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -3.308 -1.127 1.575 0.00 0.00 +0.100 C ATOM 24 N LIG 1 -3.595 0.240 1.077 0.00 0.00 -0.289 NA ATOM 25 C LIG 1 -2.393 1.100 1.229 0.00 0.00 +0.100 C ATOM 26 C LIG 1 -1.053 0.331 1.235 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -4.114 0.226 -0.322 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 C LIG 1 -4.536 1.611 -0.834 0.00 0.00 -0.026 A ATOM 29 C LIG 1 -5.192 2.540 -0.008 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.580 3.787 -0.502 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.325 4.121 -1.830 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.685 3.209 -2.667 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.296 1.962 -2.174 0.00 0.00 +0.005 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.267 -0.766 -0.537 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -6.421 -0.738 0.265 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.463 -1.641 0.049 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.370 -2.582 -0.975 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.236 -2.620 -1.783 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.191 -1.718 -1.568 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6