REMARK Name = BDB000380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.520 -2.069 0.493 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.219 -3.353 0.677 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 -1.885 -3.449 -0.100 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -1.846 -3.278 1.481 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.632 -2.262 -0.521 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 1.730 -3.290 -0.120 0.00 0.00 -0.003 C BRANCH 6 7 ATOM 7 C LIG 1 2.760 -3.524 -1.279 0.00 0.00 -0.014 C ATOM 8 C LIG 1 3.768 -4.634 -0.943 0.00 0.00 +0.007 C ATOM 9 C LIG 1 2.084 -3.897 -2.608 0.00 0.00 +0.007 C ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 2.390 -2.953 1.252 0.00 0.00 +0.039 C BRANCH 10 11 ATOM 11 C LIG 1 3.031 -1.588 1.399 0.00 0.00 -0.043 A ATOM 12 C LIG 1 4.267 -1.296 0.805 0.00 0.00 +0.053 A ATOM 13 C LIG 1 4.852 -0.029 0.938 0.00 0.00 +0.162 A ATOM 14 C LIG 1 4.225 0.959 1.714 0.00 0.00 +0.162 A ATOM 15 C LIG 1 3.009 0.664 2.332 0.00 0.00 +0.049 A ATOM 16 C LIG 1 2.422 -0.596 2.177 0.00 0.00 +0.007 A BRANCH 14 17 ATOM 17 O LIG 1 4.872 2.166 1.798 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 4.276 3.175 2.599 0.00 0.00 +0.277 C ENDBRANCH 14 17 BRANCH 13 19 ATOM 19 O LIG 1 6.064 0.301 0.382 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 6.390 -0.351 -0.845 0.00 0.00 +0.231 C BRANCH 20 21 ATOM 21 C LIG 1 7.515 0.425 -1.520 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 C LIG 1 7.097 1.855 -1.859 0.00 0.00 +0.163 C BRANCH 22 23 ATOM 23 O LIG 1 8.096 2.505 -2.649 0.00 0.00 -0.383 OA ATOM 24 C LIG 1 9.160 3.034 -1.869 0.00 0.00 +0.193 C ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 10 11 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 -1.508 -0.960 0.012 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 -2.310 -1.451 -1.064 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -1.716 -1.707 -1.790 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -2.400 -0.453 1.165 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 -3.675 0.333 0.772 0.00 0.00 +0.074 C ATOM 30 C LIG 1 -3.412 1.316 -0.369 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 -6.102 -0.138 0.301 0.00 0.00 -0.315 N ATOM 32 H LIG 1 -6.755 -0.879 0.075 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -4.846 -0.628 0.512 0.00 0.00 +0.216 C ATOM 34 O LIG 1 -4.734 -1.854 0.566 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 -6.558 1.239 0.220 0.00 0.00 +0.115 C BRANCH 35 36 ATOM 36 C LIG 1 -8.046 1.351 0.516 0.00 0.00 +0.139 C BRANCH 36 37 ATOM 37 C LIG 1 -8.505 2.780 0.399 0.00 0.00 +0.309 C ATOM 38 O LIG 1 -7.826 3.703 -0.026 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 -9.797 2.878 0.819 0.00 0.00 -0.465 OA BRANCH 39 41 ATOM 40 C LIG 1 -11.029 4.375 -0.626 0.00 0.00 +0.048 C ATOM 41 C LIG 1 -10.386 4.184 0.736 0.00 0.00 +0.229 C ENDBRANCH 39 41 ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 22