REMARK Name = BDB045809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.154 -0.350 -1.396 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -2.341 0.680 -1.887 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.057 0.889 -1.368 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.569 0.070 -0.351 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -1.376 -0.958 0.140 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.659 -1.166 -0.373 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -4.543 -0.573 -1.949 0.00 0.00 +0.078 C BRANCH 7 8 ATOM 8 C LIG 1 -5.692 -0.002 -1.094 0.00 0.00 +0.231 C BRANCH 8 9 ATOM 9 C LIG 1 -5.513 1.520 -0.910 0.00 0.00 +0.334 C ATOM 10 O LIG 1 -5.309 2.090 0.151 0.00 0.00 -0.248 OA BRANCH 9 11 ATOM 11 O LIG 1 -5.659 2.222 -2.066 0.00 0.00 -0.479 OA ATOM 12 H LIG 1 -5.874 1.687 -2.852 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 O LIG 1 -5.769 -0.766 0.108 0.00 0.00 -0.362 OA BRANCH 13 15 ATOM 14 C LIG 1 -6.951 -2.045 1.714 0.00 0.00 +0.037 C ATOM 15 C LIG 1 -7.084 -0.989 0.621 0.00 0.00 +0.113 C ATOM 16 C LIG 1 -7.712 0.278 1.190 0.00 0.00 +0.037 C ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 17 ATOM 17 O LIG 1 0.660 0.160 0.241 0.00 0.00 -0.484 OA BRANCH 17 18 ATOM 18 C LIG 1 1.485 1.268 -0.135 0.00 0.00 +0.308 C BRANCH 18 19 ATOM 19 C LIG 1 2.773 1.260 0.614 0.00 0.00 +0.209 A ATOM 20 N LIG 1 3.888 0.588 0.167 0.00 0.00 -0.192 NA ATOM 21 C LIG 1 4.761 0.842 1.115 0.00 0.00 +0.231 A ATOM 22 O LIG 1 4.271 1.648 2.102 0.00 0.00 -0.338 OA ATOM 23 N LIG 1 2.948 1.932 1.762 0.00 0.00 -0.058 NA BRANCH 21 24 ATOM 24 C LIG 1 6.179 0.400 1.252 0.00 0.00 +0.078 C ATOM 25 C LIG 1 7.080 1.224 0.312 0.00 0.00 +0.013 C ATOM 26 C LIG 1 8.360 0.476 -0.037 0.00 0.00 +0.001 C ATOM 27 C LIG 1 8.069 -0.832 -0.774 0.00 0.00 +0.000 C ATOM 28 C LIG 1 6.726 -1.460 -0.398 0.00 0.00 +0.001 C ATOM 29 C LIG 1 6.317 -1.119 1.032 0.00 0.00 +0.013 C ENDBRANCH 21 24 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 4 17 TORSDOF 10