REMARK Name = BDB035363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.234 1.165 0.469 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.660 0.122 0.278 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.504 -1.082 0.351 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.947 0.738 -0.075 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.151 0.122 -0.355 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.249 0.935 -0.673 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.089 2.341 -0.710 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.852 2.954 -0.427 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.784 2.120 -0.106 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.367 2.466 0.228 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.603 2.173 1.121 0.00 0.00 +0.217 A ATOM 12 N LIG 1 -2.286 2.237 0.841 0.00 0.00 -0.198 NA ATOM 13 C LIG 1 -1.597 1.078 0.807 0.00 0.00 +0.132 A ATOM 14 C LIG 1 -2.212 -0.143 1.077 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -3.589 -0.228 1.360 0.00 0.00 -0.026 A ATOM 16 C LIG 1 -4.280 0.992 1.370 0.00 0.00 +0.072 A BRANCH 15 17 ATOM 17 C LIG 1 -4.329 -1.618 1.644 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -3.511 -2.794 2.288 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -4.744 -3.130 3.157 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -4.478 -3.557 4.587 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.198 -1.667 2.956 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.142 -2.068 0.354 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.654 -2.430 -0.873 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -3.288 -2.501 -1.309 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -5.740 -2.715 -1.643 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -6.832 -2.540 -0.941 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.457 -2.121 0.312 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 15 17 BRANCH 11 28 ATOM 28 O LIG 1 -4.356 3.328 1.163 0.00 0.00 -0.477 OA BRANCH 28 30 ATOM 29 C LIG 1 -4.530 5.703 1.049 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -3.590 4.515 0.948 0.00 0.00 +0.227 C ENDBRANCH 28 30 ENDBRANCH 11 28 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.683 4.450 -0.465 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.373 4.963 0.758 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.676 4.835 -1.296 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.793 5.115 -0.883 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.579 0.298 -1.011 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 5.541 -0.248 -2.368 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.444 0.518 -3.032 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 6.668 -1.156 -2.649 0.00 0.00 +0.017 C ATOM 39 C LIG 1 6.406 -1.780 -4.053 0.00 0.00 +0.022 C ATOM 40 C LIG 1 5.623 -2.916 -3.365 0.00 0.00 +0.004 C ATOM 41 C LIG 1 6.362 -2.561 -2.058 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.044 -0.557 -2.460 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9