REMARK Name = BDB064370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.055 0.536 -1.108 0.00 0.00 -0.233 N ATOM 2 C LIG 1 0.154 1.574 -1.336 0.00 0.00 +0.257 C ATOM 3 O LIG 1 0.415 2.652 -1.860 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 -1.234 1.312 -0.899 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -2.167 2.353 -0.822 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -3.494 2.083 -0.466 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.869 0.754 -0.204 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.938 -0.293 -0.288 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.609 -0.002 -0.622 0.00 0.00 +0.143 A ATOM 10 O LIG 1 -0.694 -1.020 -0.705 0.00 0.00 -0.472 OA ATOM 11 C LIG 1 0.610 -0.585 -0.305 0.00 0.00 +0.346 C ENDROOT BRANCH 1 20 ATOM 12 C LIG 1 4.719 -0.657 1.049 0.00 0.00 -0.043 A ATOM 13 C LIG 1 3.582 -0.168 0.405 0.00 0.00 +0.015 A ATOM 14 C LIG 1 3.542 0.093 -0.991 0.00 0.00 +0.026 A ATOM 15 C LIG 1 4.744 -0.043 -1.736 0.00 0.00 +0.114 A ATOM 16 N LIG 1 4.784 0.289 -3.046 0.00 0.00 -0.251 NA ATOM 17 C LIG 1 3.691 0.790 -3.646 0.00 0.00 +0.113 A ATOM 18 C LIG 1 2.481 0.934 -3.015 0.00 0.00 +0.044 A ATOM 19 C LIG 1 5.888 -0.533 -1.074 0.00 0.00 +0.146 A ATOM 20 C LIG 1 2.373 0.541 -1.681 0.00 0.00 +0.050 A ATOM 21 C LIG 1 5.861 -0.864 0.289 0.00 0.00 +0.051 A BRANCH 12 23 ATOM 22 C LIG 1 4.068 -2.316 2.812 0.00 0.00 +0.009 C ATOM 23 C LIG 1 4.704 -0.964 2.523 0.00 0.00 +0.032 C ENDBRANCH 12 23 BRANCH 19 24 ATOM 24 O LIG 1 7.130 -0.777 -1.624 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 7.478 -0.066 -2.805 0.00 0.00 +0.277 C ENDBRANCH 19 24 ENDBRANCH 1 20 BRANCH 8 26 ATOM 26 C LIG 1 -3.373 -1.644 0.007 0.00 0.00 +0.035 A ATOM 27 C LIG 1 -3.883 -2.217 1.209 0.00 0.00 +0.173 A ATOM 28 N LIG 1 -4.186 -3.520 1.024 0.00 0.00 -0.167 NA ATOM 29 N LIG 1 -3.860 -3.761 -0.258 0.00 0.00 -0.273 N ATOM 30 C LIG 1 -4.043 -5.086 -0.800 0.00 0.00 +0.172 C ATOM 31 C LIG 1 -3.377 -2.669 -0.913 0.00 0.00 +0.117 A BRANCH 27 32 ATOM 32 C LIG 1 -4.070 -1.509 2.524 0.00 0.00 +0.437 C ATOM 33 F LIG 1 -4.394 -2.337 3.552 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -2.943 -0.846 2.904 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -5.059 -0.574 2.452 0.00 0.00 -0.164 F ENDBRANCH 27 32 ENDBRANCH 8 26 BRANCH 6 36 ATOM 36 C LIG 1 -4.498 3.202 -0.334 0.00 0.00 +0.157 C BRANCH 36 37 ATOM 37 N LIG 1 -4.510 3.734 1.016 0.00 0.00 -0.332 N ATOM 38 C LIG 1 -3.810 4.822 1.452 0.00 0.00 +0.199 A ATOM 39 N LIG 1 -4.050 5.070 2.720 0.00 0.00 -0.244 NA ATOM 40 C LIG 1 -4.941 4.106 3.115 0.00 0.00 +0.130 A ATOM 41 C LIG 1 -5.248 3.267 2.069 0.00 0.00 +0.107 A ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 7