REMARK Name = BDB034138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.549 0.959 0.318 0.00 0.00 +0.176 C ATOM 2 C LIG 1 3.272 1.189 -1.179 0.00 0.00 +0.063 C ATOM 3 C LIG 1 1.918 1.839 -1.418 0.00 0.00 +0.111 C ATOM 4 N LIG 1 0.839 1.014 -0.885 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -0.412 1.105 -1.493 0.00 0.00 +0.247 C ATOM 6 O LIG 1 -0.685 1.955 -2.338 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.127 0.239 0.327 0.00 0.00 +0.111 C ATOM 8 C LIG 1 2.253 0.871 1.141 0.00 0.00 +0.063 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.477 0.147 -1.110 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -2.746 0.645 -0.805 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.802 -0.224 -0.468 0.00 0.00 -0.002 A ATOM 12 C LIG 1 -3.557 -1.618 -0.427 0.00 0.00 +0.124 A ATOM 13 C LIG 1 -2.289 -2.103 -0.766 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -1.257 -1.228 -1.121 0.00 0.00 +0.016 A BRANCH 11 15 ATOM 15 C LIG 1 -5.173 0.339 -0.102 0.00 0.00 +0.023 C ATOM 16 C LIG 1 -5.211 0.729 1.387 0.00 0.00 +0.008 C ATOM 17 C LIG 1 -6.271 1.790 1.718 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -7.507 1.678 0.808 0.00 0.00 -0.006 C ATOM 19 C LIG 1 -7.093 1.896 -0.670 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -5.639 1.510 -0.976 0.00 0.00 +0.008 C BRANCH 18 21 ATOM 21 C LIG 1 -8.726 2.564 1.255 0.00 0.00 -0.035 C ATOM 22 C LIG 1 -9.235 2.108 2.642 0.00 0.00 +0.011 C ATOM 23 C LIG 1 -9.895 2.403 0.259 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -8.364 4.060 1.348 0.00 0.00 +0.011 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 12 25 ATOM 25 O LIG 1 -4.622 -2.387 -0.058 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.567 -3.788 0.177 0.00 0.00 +0.188 C ATOM 27 C LIG 1 -3.551 -4.303 1.207 0.00 0.00 +0.125 C ATOM 28 N LIG 1 -2.812 -5.378 0.527 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 -2.552 -6.110 1.187 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 -3.715 -5.900 -0.503 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -4.389 -4.659 -1.061 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 12 25 ENDBRANCH 5 9 BRANCH 1 32 ATOM 32 O LIG 1 4.262 -0.278 0.534 0.00 0.00 -0.488 OA BRANCH 32 34 ATOM 33 C LIG 1 5.811 -1.414 -0.869 0.00 0.00 +0.078 A ATOM 34 C LIG 1 5.508 -0.338 -0.034 0.00 0.00 +0.135 A ATOM 35 C LIG 1 6.498 0.608 0.246 0.00 0.00 +0.069 A ATOM 36 C LIG 1 7.770 0.538 -0.356 0.00 0.00 +0.033 A ATOM 37 C LIG 1 8.031 -0.533 -1.225 0.00 0.00 +0.024 A ATOM 38 C LIG 1 7.061 -1.505 -1.483 0.00 0.00 +0.018 A BRANCH 36 39 ATOM 39 N LIG 1 8.717 1.522 -0.040 0.00 0.00 -0.327 N ATOM 40 C LIG 1 9.265 1.355 1.330 0.00 0.00 +0.120 C ATOM 41 C LIG 1 10.501 2.257 1.548 0.00 0.00 +0.100 C ATOM 42 N LIG 1 11.621 2.024 0.611 0.00 0.00 -0.313 NA ATOM 43 H LIG 1 12.069 2.922 0.430 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 11.138 1.464 -0.668 0.00 0.00 +0.100 C ATOM 45 C LIG 1 9.714 1.907 -1.062 0.00 0.00 +0.120 C ENDBRANCH 36 39 BRANCH 33 49 ATOM 46 C LIG 1 5.268 -3.610 1.023 0.00 0.00 +0.128 C ATOM 47 N LIG 1 4.651 -3.487 -0.277 0.00 0.00 -0.314 N ATOM 48 H LIG 1 3.883 -4.104 -0.512 0.00 0.00 +0.149 HD ATOM 49 C LIG 1 4.811 -2.454 -1.167 0.00 0.00 +0.247 C ATOM 50 O LIG 1 4.166 -2.404 -2.209 0.00 0.00 -0.270 OA ENDBRANCH 33 49 ENDBRANCH 32 34 ENDBRANCH 1 32 TORSDOF 9