REMARK Name = BDB051523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.793 1.417 1.662 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -2.744 0.974 0.727 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -2.350 0.111 -0.303 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.038 -0.327 -0.437 0.00 0.00 +0.082 A ATOM 5 C LIG 1 -0.092 0.115 0.490 0.00 0.00 +0.066 A ATOM 6 C LIG 1 1.202 -0.369 0.276 0.00 0.00 +0.231 A ATOM 7 N LIG 1 1.542 -1.212 -0.719 0.00 0.00 -0.201 NA ATOM 8 C LIG 1 0.546 -1.560 -1.535 0.00 0.00 +0.225 A ATOM 9 N LIG 1 -0.728 -1.153 -1.444 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.472 0.987 1.539 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.322 2.705 3.620 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.250 2.261 2.641 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 2 13 ATOM 13 O LIG 1 -4.024 1.437 0.906 0.00 0.00 -0.488 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.022 1.024 -0.031 0.00 0.00 +0.230 C BRANCH 14 15 ATOM 15 C LIG 1 -6.340 1.672 0.384 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -7.474 1.407 -0.610 0.00 0.00 +0.087 C BRANCH 16 17 ATOM 17 N LIG 1 -7.745 -0.017 -0.823 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 -8.287 -0.693 0.358 0.00 0.00 +0.084 C ATOM 19 C LIG 1 -8.867 -1.982 -0.208 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -9.123 -1.693 -1.683 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -8.748 -0.232 -1.869 0.00 0.00 +0.084 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 6 22 ATOM 22 O LIG 1 2.179 0.015 1.194 0.00 0.00 -0.437 OA BRANCH 22 23 ATOM 23 C LIG 1 3.489 -0.079 0.793 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.350 -0.852 1.565 0.00 0.00 +0.047 A ATOM 25 C LIG 1 5.705 -0.928 1.226 0.00 0.00 +0.014 A ATOM 26 C LIG 1 6.225 -0.226 0.123 0.00 0.00 +0.007 A ATOM 27 C LIG 1 5.339 0.570 -0.624 0.00 0.00 +0.014 A ATOM 28 C LIG 1 3.982 0.650 -0.287 0.00 0.00 +0.047 A BRANCH 26 29 ATOM 29 C LIG 1 7.667 -0.350 -0.181 0.00 0.00 +0.109 A ATOM 30 S LIG 1 8.350 0.257 -1.643 0.00 0.00 -0.067 S ATOM 31 C LIG 1 9.905 -0.298 -1.170 0.00 0.00 +0.040 A ATOM 32 C LIG 1 9.804 -0.917 0.074 0.00 0.00 +0.079 A ATOM 33 C LIG 1 10.967 -1.453 0.662 0.00 0.00 +0.029 A ATOM 34 C LIG 1 12.193 -1.356 -0.005 0.00 0.00 +0.002 A ATOM 35 C LIG 1 12.270 -0.734 -1.247 0.00 0.00 +0.001 A ATOM 36 C LIG 1 11.130 -0.194 -1.851 0.00 0.00 +0.017 A ATOM 37 N LIG 1 8.533 -0.942 0.620 0.00 0.00 -0.239 NA ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 9