REMARK Name = BDB027483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.286 0.963 0.431 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.634 0.002 0.870 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.870 0.430 1.395 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.166 1.788 1.493 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.281 2.726 1.080 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.102 2.300 0.570 0.00 0.00 +0.134 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 3.386 1.100 -3.389 0.00 0.00 +0.009 C ATOM 8 C LIG 1 3.075 0.506 -2.015 0.00 0.00 +0.005 C ATOM 9 C LIG 1 4.259 0.717 -1.053 0.00 0.00 +0.028 C ATOM 10 C LIG 1 3.968 0.209 0.382 0.00 0.00 +0.038 C ATOM 11 C LIG 1 2.627 0.851 0.867 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.538 0.562 -0.096 0.00 0.00 -0.326 N ATOM 13 C LIG 1 1.797 1.133 -1.436 0.00 0.00 +0.108 C BRANCH 10 14 ATOM 14 N LIG 1 5.085 0.654 1.231 0.00 0.00 -0.323 NA ATOM 15 H LIG 1 5.111 1.671 1.306 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 4.988 0.295 2.182 0.00 0.00 +0.119 HD ENDBRANCH 10 14 BRANCH 10 17 ATOM 17 C LIG 1 3.843 -1.335 0.460 0.00 0.00 +0.095 C BRANCH 17 18 ATOM 18 C LIG 1 5.104 -2.122 0.154 0.00 0.00 +0.343 C ATOM 19 F LIG 1 5.949 -2.087 1.216 0.00 0.00 -0.209 F ATOM 20 F LIG 1 4.761 -3.430 -0.001 0.00 0.00 -0.209 F ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 4 21 ATOM 21 C LIG 1 -3.443 2.303 2.033 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.971 3.529 1.576 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -5.178 4.035 2.069 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -5.874 3.321 3.033 0.00 0.00 +0.123 A ATOM 25 F LIG 1 -7.029 3.802 3.509 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -5.384 2.115 3.514 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -4.176 1.611 3.018 0.00 0.00 +0.013 A ENDBRANCH 4 21 BRANCH 2 28 ATOM 28 C LIG 1 -0.364 -1.478 0.760 0.00 0.00 +0.161 C BRANCH 28 29 ATOM 29 N LIG 1 -0.889 -2.023 -0.475 0.00 0.00 -0.310 N ATOM 30 C LIG 1 -2.140 -2.543 -0.663 0.00 0.00 +0.166 A ATOM 31 C LIG 1 -2.151 -2.965 -1.984 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.343 -3.544 -2.450 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -4.393 -3.634 -1.601 0.00 0.00 -0.219 NA ATOM 34 C LIG 1 -4.234 -3.187 -0.337 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -0.938 -2.711 -2.593 0.00 0.00 -0.231 NA ATOM 36 N LIG 1 -3.144 -2.627 0.227 0.00 0.00 -0.216 NA ATOM 37 C LIG 1 -0.202 -2.159 -1.651 0.00 0.00 +0.202 A BRANCH 32 38 ATOM 38 N LIG 1 -3.506 -4.014 -3.747 0.00 0.00 -0.341 N ATOM 39 H LIG 1 -2.840 -3.619 -4.402 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -4.478 -4.043 -4.022 0.00 0.00 +0.144 HD ENDBRANCH 32 38 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 8