REMARK Name = BDB034354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.381 -1.136 2.459 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.711 -0.737 2.128 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.733 -0.984 3.073 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -4.034 -0.587 2.789 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -4.387 0.040 1.585 0.00 0.00 -0.019 A ATOM 6 C LIG 1 -3.388 0.266 0.641 0.00 0.00 +0.009 A ATOM 7 N LIG 1 -2.513 -1.602 4.242 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -1.263 -2.021 4.504 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.071 -0.116 0.908 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -0.188 -1.827 3.657 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.792 0.427 1.320 0.00 0.00 -0.029 C ATOM 12 C LIG 1 -6.454 -0.028 0.013 0.00 0.00 +0.072 C ATOM 13 C LIG 1 -7.864 0.553 -0.209 0.00 0.00 -0.036 C ATOM 14 C LIG 1 -8.576 0.317 -1.331 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -8.140 -0.489 -2.453 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -7.409 -1.613 -2.384 0.00 0.00 -0.000 C ATOM 17 C LIG 1 -6.907 -2.226 -1.175 0.00 0.00 -0.003 C ATOM 18 C LIG 1 -8.441 1.371 0.849 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -7.777 1.665 1.974 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -6.477 -1.546 -0.098 0.00 0.00 -0.014 C ATOM 21 C LIG 1 -6.431 1.212 2.208 0.00 0.00 +0.005 C ENDBRANCH 5 11 BRANCH 1 22 ATOM 22 N LIG 1 0.668 -0.931 1.539 0.00 0.00 -0.343 N ATOM 23 H LIG 1 0.549 -0.043 1.059 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 2.053 -1.196 1.920 0.00 0.00 +0.103 C BRANCH 24 25 ATOM 25 C LIG 1 3.005 -0.879 0.763 0.00 0.00 +0.034 C BRANCH 25 26 ATOM 26 C LIG 1 3.248 0.627 0.609 0.00 0.00 +0.083 C BRANCH 26 27 ATOM 27 N LIG 1 4.098 0.974 -0.531 0.00 0.00 -0.312 NA ATOM 28 H LIG 1 3.783 0.482 -1.367 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 5.512 0.643 -0.314 0.00 0.00 +0.120 C BRANCH 29 32 ATOM 30 C LIG 1 8.156 0.759 -3.103 0.00 0.00 +0.162 A ATOM 31 C LIG 1 7.331 0.302 -2.060 0.00 0.00 +0.163 A ATOM 32 C LIG 1 6.376 1.126 -1.456 0.00 0.00 +0.011 A ATOM 33 C LIG 1 6.276 2.451 -1.910 0.00 0.00 +0.009 A ATOM 34 C LIG 1 7.091 2.920 -2.944 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.029 2.075 -3.542 0.00 0.00 +0.049 A BRANCH 30 37 ATOM 36 C LIG 1 9.867 0.240 -4.671 0.00 0.00 +0.277 C ATOM 37 O LIG 1 9.036 -0.174 -3.593 0.00 0.00 -0.491 OA ENDBRANCH 30 37 BRANCH 31 38 ATOM 38 O LIG 1 7.479 -0.993 -1.628 0.00 0.00 -0.503 OA ATOM 39 H LIG 1 8.182 -1.366 -2.196 0.00 0.00 +0.292 HD ENDBRANCH 31 38 ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 10