REMARK Name = BDB035224 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.181 0.588 3.326 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -4.418 1.296 2.229 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -3.661 0.560 1.340 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -2.926 1.208 0.346 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -2.173 0.603 -0.416 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -3.041 2.678 0.243 0.00 0.00 +0.086 A ATOM 7 C LIG 1 -3.851 3.297 1.194 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -3.986 4.688 1.175 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -3.319 5.452 0.219 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.510 4.827 -0.730 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -2.350 3.434 -0.735 0.00 0.00 +0.042 A ATOM 12 N LIG 1 -4.535 2.584 2.182 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -3.511 -0.909 1.427 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -2.071 -1.270 1.803 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -1.472 -0.712 2.723 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -1.467 -2.263 1.078 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -0.512 -2.465 1.347 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -1.780 -2.657 -0.197 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -1.005 -3.362 -0.841 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -3.070 -2.151 -0.792 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -4.085 -1.694 0.242 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 -1.534 2.831 -1.727 0.00 0.00 -0.343 N ATOM 23 H LIG 1 -1.600 1.810 -1.609 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.127 3.243 -1.665 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.731 2.381 -2.599 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 0.834 0.922 -2.138 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 1.853 0.137 -2.967 0.00 0.00 +0.000 C BRANCH 27 28 ATOM 28 C LIG 1 1.838 -1.368 -2.674 0.00 0.00 +0.001 C BRANCH 28 29 ATOM 29 C LIG 1 2.047 -1.771 -1.208 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 3.392 -1.296 -0.638 0.00 0.00 +0.084 C BRANCH 30 31 ATOM 31 N LIG 1 3.574 -1.729 0.766 0.00 0.00 -0.297 NA ATOM 32 C LIG 1 4.604 -0.888 1.442 0.00 0.00 +0.116 C ATOM 33 C LIG 1 6.025 -1.482 1.358 0.00 0.00 +0.135 C ATOM 34 O LIG 1 6.200 -2.291 0.125 0.00 0.00 -0.371 OA ATOM 35 C LIG 1 5.503 -3.364 0.880 0.00 0.00 +0.135 C ATOM 36 C LIG 1 6.156 -2.795 2.160 0.00 0.00 +0.065 C ATOM 37 C LIG 1 3.972 -3.164 0.842 0.00 0.00 +0.116 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 10