REMARK Name = BDB064914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.164 0.380 -0.212 0.00 0.00 +0.141 C ATOM 2 N LIG 1 1.693 0.500 -0.151 0.00 0.00 -0.281 N ATOM 3 C LIG 1 0.938 -0.252 -1.038 0.00 0.00 +0.254 C ATOM 4 O LIG 1 1.464 -1.089 -1.779 0.00 0.00 -0.272 OA ATOM 5 C LIG 1 1.263 1.725 0.557 0.00 0.00 +0.104 C ATOM 6 C LIG 1 0.394 1.455 1.783 0.00 0.00 +0.033 C ATOM 7 C LIG 1 2.563 2.375 0.955 0.00 0.00 -0.022 A ATOM 8 C LIG 1 2.765 3.570 1.630 0.00 0.00 +0.006 A ATOM 9 C LIG 1 4.077 3.983 1.876 0.00 0.00 +0.000 A ATOM 10 C LIG 1 5.163 3.210 1.441 0.00 0.00 +0.000 A ATOM 11 C LIG 1 4.953 2.014 0.755 0.00 0.00 +0.006 A ATOM 12 C LIG 1 3.647 1.604 0.523 0.00 0.00 -0.018 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.773 -1.589 -0.204 0.00 0.00 +0.126 A ATOM 14 C LIG 1 3.686 -0.919 0.383 0.00 0.00 +0.021 A ATOM 15 C LIG 1 3.115 -1.478 1.541 0.00 0.00 +0.042 A ATOM 16 C LIG 1 3.619 -2.670 2.080 0.00 0.00 +0.127 A ATOM 17 C LIG 1 4.713 -3.314 1.492 0.00 0.00 +0.036 A ATOM 18 C LIG 1 5.295 -2.762 0.351 0.00 0.00 +0.048 A BRANCH 16 19 ATOM 19 N LIG 1 2.992 -3.247 3.275 0.00 0.00 +0.056 N ATOM 20 O LIG 1 3.563 -4.199 3.824 0.00 0.00 -0.126 OA ATOM 21 O LIG 1 1.924 -2.750 3.663 0.00 0.00 -0.126 OA ENDBRANCH 16 19 BRANCH 13 22 ATOM 22 O LIG 1 5.383 -1.043 -1.304 0.00 0.00 -0.492 OA BRANCH 22 24 ATOM 23 C LIG 1 5.457 -0.963 -3.688 0.00 0.00 +0.048 C ATOM 24 C LIG 1 5.074 -1.801 -2.483 0.00 0.00 +0.225 C ENDBRANCH 22 24 ENDBRANCH 13 22 ENDBRANCH 1 14 BRANCH 3 25 ATOM 25 C LIG 1 -0.580 -0.090 -1.040 0.00 0.00 +0.326 C BRANCH 25 26 ATOM 26 O LIG 1 -0.959 1.235 -1.383 0.00 0.00 -0.467 OA BRANCH 26 27 ATOM 27 C LIG 1 -2.320 1.439 -1.311 0.00 0.00 +0.216 A ATOM 28 N LIG 1 -3.092 0.549 -0.654 0.00 0.00 -0.212 NA ATOM 29 C LIG 1 -4.420 0.780 -0.581 0.00 0.00 +0.082 A ATOM 30 C LIG 1 -5.000 1.933 -1.161 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.382 2.157 -1.078 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -7.203 1.236 -0.435 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -6.643 0.089 0.119 0.00 0.00 +0.126 A ATOM 34 C LIG 1 -4.162 2.843 -1.817 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -5.255 -0.125 0.083 0.00 0.00 +0.031 A ATOM 36 C LIG 1 -2.799 2.596 -1.891 0.00 0.00 +0.068 A BRANCH 33 37 ATOM 37 O LIG 1 -7.432 -0.827 0.766 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -8.352 -1.449 -0.134 0.00 0.00 +0.277 C ENDBRANCH 33 37 BRANCH 35 39 ATOM 39 C LIG 1 -4.661 -1.373 0.698 0.00 0.00 +0.161 C BRANCH 39 40 ATOM 40 C LIG 1 -4.538 -2.515 -0.288 0.00 0.00 +0.309 C ATOM 41 O LIG 1 -5.128 -2.608 -1.355 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 -3.719 -3.502 0.157 0.00 0.00 -0.480 OA ATOM 43 H LIG 1 -3.314 -3.317 1.025 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 35 39 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 11