REMARK Name = BDB000348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.993 2.079 -2.068 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.846 2.841 -3.424 0.00 0.00 -0.014 C ATOM 3 C LIG 1 -2.179 3.428 -3.904 0.00 0.00 +0.007 C ATOM 4 C LIG 1 -0.215 2.001 -4.539 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -1.836 0.784 -2.218 0.00 0.00 +0.039 C BRANCH 5 6 ATOM 6 C LIG 1 -2.346 0.212 -0.918 0.00 0.00 -0.044 A ATOM 7 C LIG 1 -3.360 0.857 -0.205 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -3.828 0.345 1.016 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -3.252 -0.807 1.596 0.00 0.00 -0.000 A ATOM 10 C LIG 1 -2.243 -1.448 0.848 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -1.803 -0.956 -0.387 0.00 0.00 +0.004 A BRANCH 9 12 ATOM 12 C LIG 1 -3.683 -1.353 2.977 0.00 0.00 -0.009 C ATOM 13 C LIG 1 -3.478 -0.282 4.073 0.00 0.00 +0.015 C ATOM 14 C LIG 1 -5.162 -1.794 2.945 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -2.870 -2.593 3.436 0.00 0.00 +0.015 C ENDBRANCH 9 12 BRANCH 8 16 ATOM 16 O LIG 1 -4.809 1.023 1.696 0.00 0.00 -0.482 OA BRANCH 16 17 ATOM 17 C LIG 1 -5.998 1.226 0.942 0.00 0.00 +0.324 C BRANCH 17 18 ATOM 18 C LIG 1 -6.209 2.656 0.437 0.00 0.00 +0.248 C ATOM 19 O LIG 1 -5.380 3.557 0.492 0.00 0.00 -0.272 OA ATOM 20 N LIG 1 -7.433 2.886 -0.134 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -7.630 3.842 -0.404 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -8.217 2.266 0.014 0.00 0.00 +0.145 HD ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 C LIG 1 0.417 1.776 -1.477 0.00 0.00 +0.025 C BRANCH 23 24 ATOM 24 C LIG 1 0.510 1.815 0.068 0.00 0.00 +0.080 C BRANCH 24 25 ATOM 25 N LIG 1 0.417 3.206 0.547 0.00 0.00 -0.325 NA ATOM 26 H LIG 1 -0.487 3.591 0.273 0.00 0.00 +0.119 HD ATOM 27 H LIG 1 0.397 3.199 1.568 0.00 0.00 +0.119 HD ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 1.796 1.117 0.608 0.00 0.00 +0.132 C BRANCH 28 29 ATOM 29 O LIG 1 1.746 -0.278 0.301 0.00 0.00 -0.390 OA ATOM 30 H LIG 1 2.220 -0.423 -0.546 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 3.116 1.765 0.137 0.00 0.00 +0.045 C BRANCH 31 32 ATOM 32 C LIG 1 4.415 1.037 0.552 0.00 0.00 +0.074 C ATOM 33 C LIG 1 4.435 0.686 2.040 0.00 0.00 +0.017 C BRANCH 32 36 ATOM 34 N LIG 1 5.877 -0.820 -0.083 0.00 0.00 -0.315 N ATOM 35 H LIG 1 6.440 -0.525 0.703 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 4.682 -0.183 -0.334 0.00 0.00 +0.216 C ATOM 37 O LIG 1 3.910 -0.544 -1.221 0.00 0.00 -0.276 OA BRANCH 34 38 ATOM 38 C LIG 1 6.252 -2.044 -0.764 0.00 0.00 +0.104 C BRANCH 38 39 ATOM 39 C LIG 1 5.611 -3.265 -0.104 0.00 0.00 +0.018 C BRANCH 39 41 ATOM 40 C LIG 1 7.430 -4.949 -0.698 0.00 0.00 +0.004 C ATOM 41 C LIG 1 5.958 -4.581 -0.804 0.00 0.00 -0.002 C ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 18