REMARK Name = BDB017343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 4.572 3.991 -0.076 0.00 0.00 -0.269 OA ATOM 2 C LIG 1 3.596 3.240 -0.159 0.00 0.00 +0.256 C ATOM 3 N LIG 1 2.733 3.262 -1.248 0.00 0.00 -0.261 N ATOM 4 C LIG 1 1.385 2.793 -1.317 0.00 0.00 +0.079 A ATOM 5 C LIG 1 0.817 2.518 -2.576 0.00 0.00 +0.145 A ATOM 6 C LIG 1 -0.489 2.030 -2.683 0.00 0.00 +0.093 A ATOM 7 C LIG 1 -1.254 1.809 -1.539 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -0.723 2.131 -0.289 0.00 0.00 +0.048 A ATOM 9 O LIG 1 1.467 2.699 -3.776 0.00 0.00 -0.488 OA ATOM 10 C LIG 1 2.885 2.824 -3.634 0.00 0.00 +0.248 C ATOM 11 C LIG 1 0.578 2.639 -0.184 0.00 0.00 +0.031 A ATOM 12 C LIG 1 3.249 3.782 -2.512 0.00 0.00 +0.155 C ENDROOT BRANCH 2 13 ATOM 13 C LIG 1 3.381 2.236 0.917 0.00 0.00 +0.102 A ATOM 14 C LIG 1 3.153 0.781 0.628 0.00 0.00 +0.268 A ATOM 15 O LIG 1 3.231 0.399 -0.540 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 2.822 -0.034 1.746 0.00 0.00 -0.284 N ATOM 17 C LIG 1 2.855 0.507 3.034 0.00 0.00 +0.095 A ATOM 18 C LIG 1 3.161 1.786 3.273 0.00 0.00 +0.019 A ATOM 19 C LIG 1 3.420 2.680 2.183 0.00 0.00 +0.020 A BRANCH 16 20 ATOM 20 C LIG 1 2.463 -1.424 1.551 0.00 0.00 +0.050 A ATOM 21 C LIG 1 2.982 -2.191 0.493 0.00 0.00 +0.029 A ATOM 22 C LIG 1 2.626 -3.534 0.324 0.00 0.00 +0.040 A ATOM 23 C LIG 1 1.742 -4.128 1.212 0.00 0.00 +0.124 A ATOM 24 F LIG 1 1.393 -5.410 1.044 0.00 0.00 -0.205 F ATOM 25 C LIG 1 1.208 -3.404 2.267 0.00 0.00 +0.040 A ATOM 26 C LIG 1 1.569 -2.062 2.436 0.00 0.00 +0.029 A ENDBRANCH 16 20 ENDBRANCH 2 13 BRANCH 7 27 ATOM 27 O LIG 1 -2.482 1.214 -1.755 0.00 0.00 -0.455 OA BRANCH 27 28 ATOM 28 C LIG 1 -3.354 1.139 -0.694 0.00 0.00 +0.141 A ATOM 29 C LIG 1 -3.551 -0.044 0.039 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -4.473 0.072 1.087 0.00 0.00 +0.145 A ATOM 31 N LIG 1 -4.733 -1.016 1.905 0.00 0.00 -0.307 N ATOM 32 H LIG 1 -5.389 -0.877 2.659 0.00 0.00 +0.170 HD ATOM 33 C LIG 1 -4.161 -2.237 1.766 0.00 0.00 +0.254 A ATOM 34 C LIG 1 -3.223 -2.408 0.617 0.00 0.00 +0.021 A ATOM 35 C LIG 1 -2.705 -3.811 0.427 0.00 0.00 +0.041 C ATOM 36 C LIG 1 -2.133 -4.049 -0.967 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.208 -2.911 -1.357 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -1.931 -1.561 -1.332 0.00 0.00 +0.036 C ATOM 39 O LIG 1 -4.406 -3.153 2.544 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.166 1.190 1.409 0.00 0.00 -0.237 NA ATOM 41 C LIG 1 -4.968 2.277 0.642 0.00 0.00 +0.117 A ATOM 42 C LIG 1 -2.906 -1.370 -0.190 0.00 0.00 -0.025 A ATOM 43 C LIG 1 -4.085 2.300 -0.415 0.00 0.00 +0.067 A ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 4