REMARK Name = BDB064360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.356 1.000 1.174 0.00 0.00 -0.277 N ATOM 2 C LIG 1 0.403 1.441 0.268 0.00 0.00 +0.250 C ATOM 3 O LIG 1 0.316 2.603 -0.121 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.554 0.424 -0.228 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -1.488 0.766 -1.215 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -2.418 -0.178 -1.661 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.410 -1.454 -1.076 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -1.488 -1.804 -0.069 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.518 -0.860 0.336 0.00 0.00 +0.048 A ATOM 10 N LIG 1 0.383 -1.135 1.390 0.00 0.00 -0.327 N ATOM 11 H LIG 1 0.527 -2.135 1.508 0.00 0.00 +0.148 HD ATOM 12 C LIG 1 1.627 -0.407 1.285 0.00 0.00 +0.213 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -1.560 -3.157 0.515 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -2.259 -3.421 1.716 0.00 0.00 -0.040 A ATOM 15 C LIG 1 -2.966 -2.327 2.474 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -2.277 -4.728 2.230 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -1.625 -5.754 1.557 0.00 0.00 +0.124 A ATOM 18 F LIG 1 -1.653 -6.995 2.060 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -0.944 -5.513 0.373 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -0.911 -4.219 -0.146 0.00 0.00 +0.011 A ENDBRANCH 8 13 BRANCH 1 21 ATOM 21 C LIG 1 2.373 1.930 1.643 0.00 0.00 +0.145 C BRANCH 21 26 ATOM 22 C LIG 1 6.021 1.085 0.902 0.00 0.00 +0.124 A ATOM 23 C LIG 1 6.115 1.457 -0.444 0.00 0.00 +0.091 A ATOM 24 C LIG 1 5.015 1.994 -1.113 0.00 0.00 +0.124 A ATOM 25 C LIG 1 3.810 2.152 -0.425 0.00 0.00 +0.051 A ATOM 26 C LIG 1 3.692 1.777 0.921 0.00 0.00 -0.023 A ATOM 27 C LIG 1 4.811 1.244 1.580 0.00 0.00 +0.051 A BRANCH 22 29 ATOM 28 C LIG 1 7.167 0.255 2.817 0.00 0.00 +0.277 C ATOM 29 O LIG 1 7.175 0.573 1.431 0.00 0.00 -0.495 OA ENDBRANCH 22 29 BRANCH 24 30 ATOM 30 O LIG 1 4.984 2.393 -2.421 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 6.206 2.316 -3.145 0.00 0.00 +0.277 C ENDBRANCH 24 30 ENDBRANCH 21 26 ENDBRANCH 1 21 BRANCH 6 32 ATOM 32 C LIG 1 -3.443 0.180 -2.714 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 -4.624 0.770 -2.123 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -4.892 2.142 -2.028 0.00 0.00 +0.204 A ATOM 35 N LIG 1 -4.205 3.150 -2.429 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 -3.341 2.836 -2.866 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 -6.125 2.205 -1.372 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -6.717 3.444 -0.934 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -6.554 0.930 -1.042 0.00 0.00 +0.106 A ATOM 40 C LIG 1 -5.651 0.057 -1.507 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7