REMARK Name = BDB054365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.057 0.947 -0.616 0.00 0.00 +0.151 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.422 0.994 -0.651 0.00 0.00 +0.148 A ATOM 3 O LIG 1 -1.983 2.213 -0.859 0.00 0.00 -0.358 OA ATOM 4 N LIG 1 -3.355 2.092 -0.889 0.00 0.00 -0.078 NA ATOM 5 C LIG 1 -3.634 0.793 -0.690 0.00 0.00 +0.114 A ATOM 6 C LIG 1 -2.424 0.059 -0.545 0.00 0.00 +0.076 A BRANCH 5 7 ATOM 7 C LIG 1 -5.014 0.297 -0.652 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -6.081 1.129 -1.025 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -7.402 0.666 -0.995 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -7.687 -0.645 -0.594 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -6.626 -1.476 -0.209 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -5.306 -1.011 -0.240 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 -9.112 -1.140 -0.539 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -9.219 -2.481 -0.754 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -9.694 -0.909 0.670 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -9.920 -0.551 -1.464 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 5 7 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 S LIG 1 0.651 0.227 0.952 0.00 0.00 -0.117 S BRANCH 17 23 ATOM 18 C LIG 1 5.255 2.623 -0.066 0.00 0.00 +0.047 C ATOM 19 C LIG 1 4.503 1.338 0.150 0.00 0.00 -0.008 A ATOM 20 C LIG 1 5.171 0.100 0.112 0.00 0.00 +0.124 A ATOM 21 C LIG 1 4.449 -1.074 0.346 0.00 0.00 +0.047 A ATOM 22 C LIG 1 3.074 -1.022 0.601 0.00 0.00 +0.018 A ATOM 23 C LIG 1 2.401 0.199 0.620 0.00 0.00 +0.009 A ATOM 24 C LIG 1 3.122 1.377 0.409 0.00 0.00 +0.021 A BRANCH 20 25 ATOM 25 O LIG 1 6.514 0.164 -0.147 0.00 0.00 -0.481 OA BRANCH 25 26 ATOM 26 C LIG 1 7.240 -1.044 -0.311 0.00 0.00 +0.349 C BRANCH 26 27 ATOM 27 C LIG 1 7.664 -1.721 0.983 0.00 0.00 +0.343 C ATOM 28 O LIG 1 7.487 -1.336 2.127 0.00 0.00 -0.247 OA BRANCH 27 29 ATOM 29 O LIG 1 8.312 -2.885 0.757 0.00 0.00 -0.478 OA ATOM 30 H LIG 1 8.540 -3.202 1.658 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 17 23 ENDBRANCH 1 17 TORSDOF 9