REMARK Name = BDB027137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.858 -0.599 0.504 0.00 0.00 +0.186 C ATOM 2 O LIG 1 0.757 -0.577 1.736 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -4.525 -0.637 0.277 0.00 0.00 +0.039 A ATOM 4 C LIG 1 -3.918 -0.701 -0.987 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.518 -0.694 -1.046 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.712 -0.637 0.090 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.342 -0.645 -0.346 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.375 -0.709 -1.729 0.00 0.00 +0.095 A ATOM 9 C LIG 1 -2.344 -0.594 1.352 0.00 0.00 +0.011 A ATOM 10 N LIG 1 -1.683 -0.748 -2.135 0.00 0.00 -0.360 N ATOM 11 H LIG 1 -1.997 -0.812 -3.095 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 -3.744 -0.599 1.435 0.00 0.00 +0.014 A BRANCH 3 15 ATOM 13 N LIG 1 -6.594 -0.024 1.420 0.00 0.00 -0.309 N ATOM 14 H LIG 1 -6.028 0.506 2.068 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 -6.014 -0.637 0.330 0.00 0.00 +0.244 C ATOM 16 O LIG 1 -6.667 -1.125 -0.586 0.00 0.00 -0.270 OA BRANCH 13 17 ATOM 17 C LIG 1 -8.040 0.063 1.562 0.00 0.00 +0.135 C BRANCH 17 19 ATOM 18 C LIG 1 -10.155 1.246 0.859 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -8.656 1.122 0.634 0.00 0.00 +0.128 C BRANCH 19 20 ATOM 20 O LIG 1 -8.059 2.395 0.903 0.00 0.00 -0.391 OA ATOM 21 H LIG 1 -7.128 2.308 0.630 0.00 0.00 +0.210 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 22 ATOM 22 C LIG 1 2.259 -0.575 -0.170 0.00 0.00 +0.156 C BRANCH 22 23 ATOM 23 C LIG 1 2.674 -1.952 -0.671 0.00 0.00 -0.023 A ATOM 24 C LIG 1 3.252 -2.086 -1.945 0.00 0.00 +0.005 A ATOM 25 C LIG 1 3.646 -3.337 -2.421 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.477 -4.470 -1.628 0.00 0.00 +0.000 A ATOM 27 C LIG 1 2.922 -4.351 -0.355 0.00 0.00 +0.000 A ATOM 28 C LIG 1 2.529 -3.101 0.124 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 3.291 -0.076 0.779 0.00 0.00 -0.303 NA ATOM 30 H LIG 1 3.078 -0.504 1.685 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 3.268 1.383 0.942 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 C LIG 1 3.986 2.151 -0.183 0.00 0.00 +0.050 C BRANCH 32 33 ATOM 33 C LIG 1 5.494 2.042 -0.134 0.00 0.00 -0.046 A ATOM 34 C LIG 1 6.140 0.878 -0.572 0.00 0.00 +0.005 A ATOM 35 C LIG 1 7.532 0.775 -0.522 0.00 0.00 +0.019 A ATOM 36 C LIG 1 8.296 1.837 -0.032 0.00 0.00 +0.052 A ATOM 37 C LIG 1 7.660 3.002 0.409 0.00 0.00 +0.019 A ATOM 38 C LIG 1 6.267 3.102 0.360 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 9.725 1.733 0.021 0.00 0.00 +0.099 C ATOM 40 N LIG 1 10.882 1.653 0.062 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 12