REMARK Name = BDB027156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.821 0.227 2.365 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.612 -0.581 3.639 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.345 -1.960 3.610 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.169 -2.676 4.795 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.266 -2.028 6.025 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.543 -0.664 6.072 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.719 0.055 4.888 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -3.255 0.420 2.027 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.693 0.968 2.765 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -4.028 -0.813 1.840 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -5.459 -0.511 1.349 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -5.966 1.507 -2.454 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -6.873 1.708 -1.408 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -6.691 1.058 -0.184 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -5.601 0.199 0.019 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -4.717 -0.022 -1.047 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -4.894 0.628 -2.274 0.00 0.00 +0.013 A BRANCH 12 21 ATOM 18 N LIG 1 -5.117 2.400 -4.561 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -5.266 3.006 -5.358 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -4.168 2.295 -4.230 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -6.194 2.227 -3.736 0.00 0.00 +0.242 C ATOM 22 O LIG 1 -7.290 2.684 -4.035 0.00 0.00 -0.270 OA ENDBRANCH 12 21 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 C LIG 1 -0.961 -0.251 1.155 0.00 0.00 +0.186 C ATOM 24 O LIG 1 -1.440 -0.898 0.220 0.00 0.00 -0.290 OA BRANCH 23 25 ATOM 25 C LIG 1 0.480 0.070 1.155 0.00 0.00 +0.044 A ATOM 26 C LIG 1 1.431 -0.219 0.115 0.00 0.00 +0.010 A ATOM 27 C LIG 1 2.675 0.253 0.532 0.00 0.00 +0.048 A ATOM 28 C LIG 1 3.836 0.137 -0.246 0.00 0.00 +0.034 A ATOM 29 C LIG 1 3.739 -0.485 -1.502 0.00 0.00 -0.013 A ATOM 30 C LIG 1 2.502 -0.969 -1.939 0.00 0.00 +0.009 A ATOM 31 N LIG 1 2.503 0.801 1.779 0.00 0.00 -0.360 N ATOM 32 H LIG 1 3.244 1.211 2.331 0.00 0.00 +0.165 HD ATOM 33 C LIG 1 1.351 -0.842 -1.148 0.00 0.00 +0.011 A ATOM 34 C LIG 1 1.191 0.703 2.163 0.00 0.00 +0.095 A BRANCH 29 35 ATOM 35 C LIG 1 4.914 -0.639 -2.342 0.00 0.00 +0.020 A ATOM 36 C LIG 1 5.967 0.249 -2.410 0.00 0.00 +0.117 A ATOM 37 N LIG 1 6.852 -0.269 -3.312 0.00 0.00 -0.269 N ATOM 38 N LIG 1 6.444 -1.431 -3.856 0.00 0.00 -0.179 NA ATOM 39 C LIG 1 5.267 -1.654 -3.263 0.00 0.00 +0.142 A BRANCH 37 40 ATOM 40 C LIG 1 8.107 0.323 -3.741 0.00 0.00 +0.171 C BRANCH 40 41 ATOM 41 C LIG 1 9.215 0.120 -2.717 0.00 0.00 +0.179 C BRANCH 41 42 ATOM 42 O LIG 1 9.145 1.097 -1.676 0.00 0.00 -0.393 OA ATOM 43 H LIG 1 9.447 1.946 -2.043 0.00 0.00 +0.209 HD ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 37 40 ENDBRANCH 29 35 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 12