REMARK Name = BDB019766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.377 -0.510 0.768 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.156 -1.343 -0.047 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.353 -0.878 -0.618 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.752 0.443 -0.349 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.988 1.288 0.472 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.806 0.793 1.040 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.172 -1.754 -1.468 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -3.648 -2.984 -0.994 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -4.418 -3.791 -1.827 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -4.940 -5.105 -1.328 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -4.730 -3.440 -3.095 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -4.269 -2.253 -3.539 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -3.500 -1.390 -2.777 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.587 -1.949 0.693 0.00 0.00 -0.307 N ATOM 15 H LIG 1 1.333 -2.142 -0.266 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 0.896 -0.977 1.384 0.00 0.00 +0.244 C ATOM 17 O LIG 1 1.290 -0.476 2.430 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 2.910 -2.366 1.103 0.00 0.00 +0.140 C BRANCH 18 23 ATOM 19 C LIG 1 5.343 0.213 -0.300 0.00 0.00 +0.124 A ATOM 20 C LIG 1 5.880 -0.476 -1.392 0.00 0.00 +0.091 A ATOM 21 C LIG 1 5.459 -1.779 -1.675 0.00 0.00 +0.124 A ATOM 22 C LIG 1 4.502 -2.390 -0.860 0.00 0.00 +0.051 A ATOM 23 C LIG 1 3.961 -1.717 0.242 0.00 0.00 -0.023 A ATOM 24 C LIG 1 4.386 -0.409 0.506 0.00 0.00 +0.051 A BRANCH 19 26 ATOM 25 C LIG 1 6.657 2.163 -0.677 0.00 0.00 +0.277 C ATOM 26 O LIG 1 5.662 1.488 0.081 0.00 0.00 -0.495 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 5.897 -2.559 -2.711 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 6.898 -2.009 -3.558 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -2.457 2.688 0.784 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 -3.249 2.672 1.996 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -3.905 1.896 2.020 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.848 3.784 2.469 0.00 0.00 +0.176 C ATOM 33 N LIG 1 -3.133 4.938 2.462 0.00 0.00 -0.316 N ATOM 34 H LIG 1 -2.167 4.803 2.737 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -3.865 5.885 3.279 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -5.247 5.230 3.345 0.00 0.00 +0.163 C ATOM 37 N LIG 1 -5.051 3.804 2.962 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9