REMARK Name = BDB058395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.907 -1.825 -0.412 0.00 0.00 +0.163 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.256 -1.195 0.582 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.686 -1.775 -0.134 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.109 -1.106 0.692 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.653 -0.504 1.618 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.160 -0.547 1.526 0.00 0.00 +0.169 C BRANCH 6 9 ATOM 7 N LIG 1 4.324 0.609 1.407 0.00 0.00 -0.301 N ATOM 8 H LIG 1 3.909 1.274 2.050 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 3.500 -0.316 0.806 0.00 0.00 +0.235 C ATOM 10 O LIG 1 3.811 -0.940 -0.208 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 5.617 0.991 0.822 0.00 0.00 +0.182 C BRANCH 11 12 ATOM 12 C LIG 1 5.355 1.754 -0.494 0.00 0.00 +0.327 C ATOM 13 O LIG 1 4.359 2.444 -0.693 0.00 0.00 -0.249 OA BRANCH 12 15 ATOM 14 C LIG 1 6.186 2.314 -2.609 0.00 0.00 +0.280 C ATOM 15 O LIG 1 6.390 1.631 -1.370 0.00 0.00 -0.467 OA ENDBRANCH 12 15 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 C LIG 1 6.566 -0.219 0.716 0.00 0.00 +0.045 C BRANCH 16 17 ATOM 17 C LIG 1 8.056 0.134 0.779 0.00 0.00 +0.123 C BRANCH 17 18 ATOM 18 C LIG 1 8.502 0.572 2.155 0.00 0.00 +0.305 C ATOM 19 O LIG 1 7.758 0.941 3.050 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 9.847 0.563 2.292 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 10.328 0.252 1.502 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 7 11 ENDBRANCH 6 9 BRANCH 6 22 ATOM 22 C LIG 1 2.344 -1.345 2.811 0.00 0.00 +0.152 C BRANCH 22 23 ATOM 23 C LIG 1 3.233 -2.539 2.616 0.00 0.00 +0.307 C ATOM 24 O LIG 1 4.377 -2.654 3.023 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.648 -3.533 1.923 0.00 0.00 -0.481 OA ATOM 26 H LIG 1 3.334 -4.233 1.883 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 6 22 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 27 ATOM 27 N LIG 1 -2.322 -1.736 -0.070 0.00 0.00 -0.299 N ATOM 28 H LIG 1 -2.578 -1.012 0.592 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 -3.264 -2.587 -0.578 0.00 0.00 +0.261 C ATOM 30 O LIG 1 -2.977 -3.491 -1.357 0.00 0.00 -0.269 OA BRANCH 29 31 ATOM 31 C LIG 1 -4.620 -2.340 -0.148 0.00 0.00 +0.103 A ATOM 32 N LIG 1 -5.662 -3.131 -0.582 0.00 0.00 -0.351 N ATOM 33 H LIG 1 -5.543 -3.915 -1.210 0.00 0.00 +0.166 HD ATOM 34 C LIG 1 -6.859 -2.709 -0.055 0.00 0.00 +0.047 A ATOM 35 C LIG 1 -6.583 -1.609 0.751 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -7.647 -0.970 1.424 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -8.951 -1.455 1.266 0.00 0.00 +0.121 A ATOM 38 C LIG 1 -9.188 -2.562 0.448 0.00 0.00 +0.047 A ATOM 39 C LIG 1 -8.150 -3.213 -0.228 0.00 0.00 +0.030 A ATOM 40 C LIG 1 -5.178 -1.386 0.688 0.00 0.00 +0.041 A BRANCH 37 41 ATOM 41 O LIG 1 -10.073 -0.935 1.855 0.00 0.00 -0.495 OA ATOM 42 C LIG 1 -9.893 0.204 2.686 0.00 0.00 +0.277 C ENDBRANCH 37 41 ENDBRANCH 29 31 ENDBRANCH 1 27 BRANCH 1 43 ATOM 43 C LIG 1 -0.594 -1.282 -1.820 0.00 0.00 +0.067 C BRANCH 43 44 ATOM 44 C LIG 1 -0.863 0.196 -2.004 0.00 0.00 -0.045 A ATOM 45 C LIG 1 0.171 1.133 -1.851 0.00 0.00 +0.012 A ATOM 46 C LIG 1 -0.069 2.510 -1.994 0.00 0.00 -0.018 A ATOM 47 C LIG 1 -1.372 2.959 -2.303 0.00 0.00 -0.018 A ATOM 48 C LIG 1 -1.610 4.336 -2.444 0.00 0.00 +0.008 A ATOM 49 C LIG 1 -0.576 5.259 -2.281 0.00 0.00 +0.001 A ATOM 50 C LIG 1 0.708 4.817 -1.975 0.00 0.00 +0.001 A ATOM 51 C LIG 1 -2.400 2.017 -2.463 0.00 0.00 +0.009 A ATOM 52 C LIG 1 0.961 3.452 -1.833 0.00 0.00 +0.008 A ATOM 53 C LIG 1 -2.147 0.651 -2.316 0.00 0.00 +0.004 A ENDBRANCH 43 44 ENDBRANCH 1 43 TORSDOF 18