REMARK Name = BDB008093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.527 1.133 1.424 0.00 0.00 -0.300 N ATOM 2 C LIG 1 -0.888 1.459 0.146 0.00 0.00 +0.109 C ATOM 3 C LIG 1 0.575 1.841 0.372 0.00 0.00 +0.038 C ATOM 4 C LIG 1 1.358 0.726 1.099 0.00 0.00 +0.060 C ATOM 5 C LIG 1 0.621 0.513 2.439 0.00 0.00 +0.038 C ATOM 6 C LIG 1 -0.843 0.123 2.237 0.00 0.00 +0.109 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -5.642 0.576 1.156 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -4.907 1.233 0.199 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -3.572 1.422 0.265 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -2.907 0.915 1.316 0.00 0.00 +0.218 A ATOM 11 N LIG 1 -3.539 0.231 2.285 0.00 0.00 -0.222 NA ATOM 12 C LIG 1 -4.873 0.071 2.181 0.00 0.00 +0.121 A BRANCH 7 16 ATOM 13 C LIG 1 -9.148 3.493 -0.037 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -8.270 2.234 -0.135 0.00 0.00 +0.059 C ATOM 15 N LIG 1 -7.994 1.569 1.175 0.00 0.00 -0.282 NA ATOM 16 C LIG 1 -7.133 0.349 1.091 0.00 0.00 +0.137 C ATOM 17 C LIG 1 -7.502 -0.460 -0.117 0.00 0.00 +0.042 A ATOM 18 N LIG 1 -7.062 -1.727 -0.394 0.00 0.00 -0.356 N ATOM 19 H LIG 1 -6.432 -2.274 0.177 0.00 0.00 +0.166 HD ATOM 20 C LIG 1 -7.579 -2.152 -1.600 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -8.382 -1.122 -2.095 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -9.044 -1.311 -3.324 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -8.877 -2.516 -4.016 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -8.066 -3.524 -3.500 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -7.400 -3.361 -2.281 0.00 0.00 +0.026 A ATOM 26 C LIG 1 -8.318 -0.062 -1.153 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -8.972 1.270 -1.145 0.00 0.00 +0.056 C BRANCH 15 28 ATOM 28 C LIG 1 -7.667 2.488 2.287 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -7.618 1.904 3.711 0.00 0.00 +0.355 C ATOM 30 F LIG 1 -7.469 2.920 4.604 0.00 0.00 -0.208 F ATOM 31 F LIG 1 -8.796 1.296 4.011 0.00 0.00 -0.208 F ENDBRANCH 28 29 ENDBRANCH 15 28 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 4 32 ATOM 32 N LIG 1 1.490 -0.525 0.301 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 2.277 -1.583 0.989 0.00 0.00 +0.103 C ATOM 34 C LIG 1 3.794 -1.301 1.128 0.00 0.00 +0.120 C ATOM 35 N LIG 1 4.396 -0.997 -0.193 0.00 0.00 -0.325 N ATOM 36 C LIG 1 3.653 0.035 -0.948 0.00 0.00 +0.120 C ATOM 37 C LIG 1 2.148 -0.322 -1.019 0.00 0.00 +0.103 C BRANCH 35 38 ATOM 38 C LIG 1 5.801 -0.928 -0.195 0.00 0.00 +0.066 A ATOM 39 C LIG 1 6.559 0.177 -0.619 0.00 0.00 +0.146 A ATOM 40 F LIG 1 5.959 1.309 -1.020 0.00 0.00 -0.203 F ATOM 41 C LIG 1 7.961 0.178 -0.617 0.00 0.00 +0.063 A ATOM 42 C LIG 1 8.682 -0.947 -0.228 0.00 0.00 +0.031 A ATOM 43 C LIG 1 7.944 -2.050 0.215 0.00 0.00 +0.025 A ATOM 44 C LIG 1 6.540 -2.045 0.216 0.00 0.00 +0.028 A BRANCH 42 45 ATOM 45 N LIG 1 10.074 -1.006 -0.132 0.00 0.00 -0.333 N ATOM 46 H LIG 1 10.406 -1.959 -0.264 0.00 0.00 +0.147 HD BRANCH 45 47 ATOM 47 C LIG 1 10.936 0.027 -0.726 0.00 0.00 +0.158 C ATOM 48 C LIG 1 10.976 -0.071 -2.255 0.00 0.00 +0.239 C ATOM 49 O LIG 1 10.336 0.680 -2.992 0.00 0.00 -0.273 OA ATOM 50 N LIG 1 11.792 -1.044 -2.781 0.00 0.00 -0.255 N ATOM 51 H LIG 1 11.810 -1.067 -3.792 0.00 0.00 +0.158 HD ATOM 52 C LIG 1 12.940 -1.507 -2.196 0.00 0.00 +0.219 C ATOM 53 O LIG 1 13.835 -2.009 -2.869 0.00 0.00 -0.275 OA ATOM 54 C LIG 1 13.033 -1.390 -0.693 0.00 0.00 +0.098 C ATOM 55 C LIG 1 12.361 -0.120 -0.186 0.00 0.00 +0.041 C ENDBRANCH 45 47 ENDBRANCH 42 45 ENDBRANCH 35 38 ENDBRANCH 4 32 TORSDOF 8