REMARK Name = BDB000882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.484 -0.453 1.069 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -2.566 -0.459 0.177 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -2.321 -0.534 -1.199 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.034 -0.602 -1.716 0.00 0.00 +0.080 A ATOM 5 C LIG 1 0.056 -0.577 -0.838 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.328 -0.631 -1.451 0.00 0.00 +0.135 A ATOM 7 N LIG 1 1.473 -0.774 -2.786 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 0.352 -0.782 -3.513 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.894 -0.693 -3.042 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.185 -0.514 0.561 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -0.731 -0.371 3.340 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -1.797 -0.391 2.402 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 2.495 -0.595 -0.637 0.00 0.00 -0.284 N ATOM 14 H LIG 1 2.392 0.071 0.123 0.00 0.00 +0.155 HD BRANCH 13 15 ATOM 15 C LIG 1 3.764 -0.831 -1.053 0.00 0.00 +0.120 A ATOM 16 N LIG 1 4.074 -1.373 -2.270 0.00 0.00 -0.264 N ATOM 17 H LIG 1 3.413 -1.615 -3.001 0.00 0.00 +0.190 HD ATOM 18 N LIG 1 5.394 -1.545 -2.473 0.00 0.00 -0.177 NA ATOM 19 C LIG 1 5.957 -1.059 -1.355 0.00 0.00 +0.073 A ATOM 20 C LIG 1 4.972 -0.621 -0.432 0.00 0.00 +0.068 A BRANCH 19 21 ATOM 21 C LIG 1 7.444 -1.095 -1.228 0.00 0.00 +0.153 C BRANCH 21 22 ATOM 22 C LIG 1 8.017 -0.226 -0.116 0.00 0.00 +0.223 C ATOM 23 N LIG 1 9.169 -0.776 0.438 0.00 0.00 -0.285 N ATOM 24 H LIG 1 9.497 -1.649 0.041 0.00 0.00 +0.155 HD ATOM 25 O LIG 1 7.521 0.848 0.210 0.00 0.00 -0.275 OA BRANCH 23 26 ATOM 26 C LIG 1 9.962 -0.245 1.479 0.00 0.00 +0.036 A ATOM 27 C LIG 1 9.673 0.938 2.160 0.00 0.00 +0.061 A ATOM 28 C LIG 1 10.520 1.378 3.175 0.00 0.00 +0.125 A ATOM 29 F LIG 1 10.234 2.514 3.826 0.00 0.00 -0.205 F ATOM 30 C LIG 1 11.656 0.661 3.531 0.00 0.00 +0.038 A ATOM 31 C LIG 1 11.952 -0.522 2.861 0.00 0.00 +0.005 A ATOM 32 C LIG 1 11.107 -0.972 1.841 0.00 0.00 +0.023 A ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 33 ATOM 33 O LIG 1 -3.814 -0.393 0.743 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.948 -0.425 -0.127 0.00 0.00 +0.230 C BRANCH 34 35 ATOM 35 C LIG 1 -6.204 -0.363 0.739 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 -7.490 -0.566 -0.065 0.00 0.00 +0.088 C BRANCH 36 37 ATOM 37 N LIG 1 -7.641 0.409 -1.148 0.00 0.00 -0.297 NA ATOM 38 C LIG 1 -8.505 1.564 -0.819 0.00 0.00 +0.082 C ATOM 39 C LIG 1 -8.659 2.201 -2.199 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.678 1.027 -3.169 0.00 0.00 +0.017 C ATOM 41 C LIG 1 -8.264 -0.179 -2.339 0.00 0.00 +0.085 C BRANCH 38 42 ATOM 42 C LIG 1 -7.946 2.567 0.202 0.00 0.00 +0.174 C BRANCH 42 43 ATOM 43 O LIG 1 -8.206 2.147 1.541 0.00 0.00 -0.393 OA ATOM 44 H LIG 1 -9.170 2.076 1.643 0.00 0.00 +0.209 HD ENDBRANCH 42 43 ENDBRANCH 38 42 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 13