REMARK Name = BDB034226 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.322 1.148 -0.489 0.00 0.00 -0.279 N ATOM 2 C LIG 1 -3.284 1.715 0.242 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.342 2.643 1.026 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.068 0.967 -0.091 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.425 -0.077 -0.941 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.463 -0.955 -1.409 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.143 -0.766 -0.989 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.210 0.309 -0.153 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -0.767 1.189 0.319 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -3.893 -0.048 -1.195 0.00 0.00 +0.145 C ENDROOT BRANCH 1 15 ATOM 11 O LIG 1 -9.599 2.014 0.588 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.389 1.860 0.440 0.00 0.00 +0.223 C ATOM 13 C LIG 1 -7.492 2.489 -0.699 0.00 0.00 +0.080 C ATOM 14 C LIG 1 -6.095 2.978 -0.195 0.00 0.00 +0.048 C ATOM 15 C LIG 1 -5.741 1.442 -0.227 0.00 0.00 +0.116 C ATOM 16 C LIG 1 -6.389 0.611 0.994 0.00 0.00 +0.243 C ATOM 17 O LIG 1 -5.904 -0.348 1.592 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -6.662 1.431 -1.504 0.00 0.00 +0.048 C ATOM 19 N LIG 1 -7.674 1.034 1.285 0.00 0.00 -0.254 N ATOM 20 H LIG 1 -8.187 0.525 1.990 0.00 0.00 +0.158 HD ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 O LIG 1 0.796 -1.623 -1.495 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 1.512 -2.362 -0.483 0.00 0.00 +0.190 C ATOM 23 C LIG 1 3.038 -2.334 -0.820 0.00 0.00 +0.097 C ATOM 24 C LIG 1 3.770 -3.591 -0.281 0.00 0.00 +0.022 C ATOM 25 C LIG 1 3.057 -4.240 0.901 0.00 0.00 +0.002 C ATOM 26 C LIG 1 1.642 -4.685 0.538 0.00 0.00 +0.004 C ATOM 27 C LIG 1 0.981 -3.800 -0.514 0.00 0.00 +0.046 C BRANCH 23 28 ATOM 28 N LIG 1 3.576 -1.005 -0.469 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 4.938 -0.758 -0.975 0.00 0.00 +0.094 C ATOM 30 C LIG 1 5.240 -0.010 0.355 0.00 0.00 +0.047 C ATOM 31 C LIG 1 4.044 -0.833 0.916 0.00 0.00 +0.094 C BRANCH 30 32 ATOM 32 C LIG 1 5.151 1.587 0.404 0.00 0.00 -0.039 A ATOM 33 C LIG 1 4.165 2.319 -0.287 0.00 0.00 +0.042 A ATOM 34 C LIG 1 4.106 3.710 -0.220 0.00 0.00 +0.124 A ATOM 35 F LIG 1 3.149 4.362 -0.893 0.00 0.00 -0.205 F ATOM 36 C LIG 1 5.021 4.428 0.533 0.00 0.00 +0.038 A ATOM 37 C LIG 1 6.010 3.744 1.230 0.00 0.00 +0.003 A ATOM 38 C LIG 1 6.068 2.346 1.163 0.00 0.00 +0.004 A ENDBRANCH 30 32 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5