REMARK Name = BDB001553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.166 -2.259 -0.772 0.00 0.00 +0.197 A ATOM 2 N LIG 1 -1.283 -1.451 -0.685 0.00 0.00 -0.270 N ATOM 3 C LIG 1 -1.645 -1.514 0.661 0.00 0.00 +0.171 A ATOM 4 N LIG 1 -0.859 -2.389 1.272 0.00 0.00 -0.128 NA ATOM 5 N LIG 1 0.068 -2.845 0.378 0.00 0.00 -0.122 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.897 -0.691 -1.713 0.00 0.00 +0.053 A ATOM 7 C LIG 1 -3.266 -0.835 -2.021 0.00 0.00 -0.026 A ATOM 8 C LIG 1 -4.172 -1.869 -1.408 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -3.822 0.022 -2.986 0.00 0.00 +0.005 A ATOM 10 C LIG 1 -3.038 0.966 -3.652 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -1.681 1.074 -3.364 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -1.109 0.249 -2.397 0.00 0.00 +0.026 A ENDBRANCH 2 6 BRANCH 3 13 ATOM 13 C LIG 1 -2.673 -0.733 1.347 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -3.451 -1.331 2.335 0.00 0.00 +0.122 A ATOM 15 N LIG 1 -4.433 -0.701 3.027 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 -4.638 0.600 2.738 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -3.904 1.299 1.796 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.905 0.623 1.097 0.00 0.00 +0.014 A ENDBRANCH 3 13 BRANCH 1 19 ATOM 19 S LIG 1 0.759 -2.543 -2.209 0.00 0.00 -0.078 S BRANCH 19 20 ATOM 20 C LIG 1 2.445 -2.351 -1.543 0.00 0.00 +0.151 C BRANCH 20 29 ATOM 21 N LIG 1 2.926 -0.868 0.480 0.00 0.00 -0.327 N ATOM 22 C LIG 1 2.990 0.485 0.745 0.00 0.00 +0.069 A ATOM 23 C LIG 1 2.740 1.087 -0.484 0.00 0.00 +0.090 A ATOM 24 C LIG 1 2.730 2.483 -0.588 0.00 0.00 +0.044 A ATOM 25 C LIG 1 2.961 3.236 0.570 0.00 0.00 +0.061 A ATOM 26 C LIG 1 3.232 2.616 1.798 0.00 0.00 +0.017 A ATOM 27 N LIG 1 2.525 0.147 -1.454 0.00 0.00 -0.231 NA ATOM 28 C LIG 1 3.250 1.221 1.908 0.00 0.00 +0.029 A ATOM 29 C LIG 1 2.633 -1.030 -0.861 0.00 0.00 +0.121 A BRANCH 21 31 ATOM 30 C LIG 1 4.588 -2.336 1.556 0.00 0.00 +0.027 C ATOM 31 C LIG 1 3.132 -1.913 1.467 0.00 0.00 +0.120 C ENDBRANCH 21 31 BRANCH 25 32 ATOM 32 C LIG 1 2.938 4.710 0.456 0.00 0.00 +0.337 C ATOM 33 O LIG 1 3.453 5.319 -0.464 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 2.245 5.299 1.454 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 1.755 4.681 2.028 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 20 29 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 8