REMARK Name = BDB003753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.434 -1.608 -1.015 0.00 0.00 +0.120 C ATOM 2 C LIG 1 6.035 -1.943 0.332 0.00 0.00 +0.170 C ATOM 3 O LIG 1 5.480 -1.517 1.344 0.00 0.00 -0.295 OA ATOM 4 C LIG 1 7.296 -2.820 0.405 0.00 0.00 +0.158 C ATOM 5 C LIG 1 7.710 -3.184 -1.042 0.00 0.00 +0.169 C ATOM 6 O LIG 1 7.866 -4.345 -1.418 0.00 0.00 -0.295 OA ATOM 7 C LIG 1 7.742 -1.976 -2.021 0.00 0.00 +0.108 C ATOM 8 C LIG 1 8.363 -0.917 -1.220 0.00 0.00 +0.011 C ATOM 9 C LIG 1 8.672 -0.552 0.170 0.00 0.00 +0.019 C ATOM 10 C LIG 1 8.505 -1.966 1.011 0.00 0.00 +0.016 C ATOM 11 C LIG 1 9.900 -2.707 0.780 0.00 0.00 +0.001 C ATOM 12 C LIG 1 8.400 -1.623 2.535 0.00 0.00 +0.001 C ATOM 13 C LIG 1 6.275 -1.611 -2.263 0.00 0.00 +0.164 C ATOM 14 O LIG 1 5.805 -1.304 -3.337 0.00 0.00 -0.295 OA ENDROOT BRANCH 4 15 ATOM 15 C LIG 1 7.010 -4.092 1.243 0.00 0.00 +0.184 C ATOM 16 O LIG 1 7.883 -4.656 1.900 0.00 0.00 -0.291 OA BRANCH 15 17 ATOM 17 C LIG 1 5.652 -4.754 1.248 0.00 0.00 +0.019 A ATOM 18 C LIG 1 5.241 -5.475 2.385 0.00 0.00 +0.011 A ATOM 19 C LIG 1 3.991 -6.111 2.417 0.00 0.00 +0.001 A ATOM 20 C LIG 1 3.133 -6.025 1.324 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.535 -5.329 0.189 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.796 -4.725 0.141 0.00 0.00 +0.011 A ENDBRANCH 15 17 ENDBRANCH 4 15 BRANCH 1 23 ATOM 23 C LIG 1 4.071 -1.198 -1.101 0.00 0.00 +0.040 C BRANCH 23 26 ATOM 24 C LIG 1 0.299 -1.194 -0.634 0.00 0.00 +0.026 C ATOM 25 C LIG 1 1.364 -0.365 -1.282 0.00 0.00 -0.048 C ATOM 26 C LIG 1 2.602 -0.746 -1.204 0.00 0.00 -0.034 C ATOM 27 C LIG 1 0.990 0.785 -2.163 0.00 0.00 +0.026 C ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 9 28 ATOM 28 C LIG 1 7.761 0.532 0.602 0.00 0.00 +0.021 C BRANCH 28 29 ATOM 29 C LIG 1 6.791 1.653 1.043 0.00 0.00 -0.035 C ATOM 30 C LIG 1 5.963 2.589 1.401 0.00 0.00 -0.048 C ATOM 31 C LIG 1 4.800 2.897 0.506 0.00 0.00 +0.026 C ATOM 32 C LIG 1 6.278 3.465 2.568 0.00 0.00 +0.026 C ENDBRANCH 28 29 ENDBRANCH 9 28 BRANCH 7 33 ATOM 33 C LIG 1 8.479 -2.259 -3.252 0.00 0.00 +0.039 C BRANCH 33 34 ATOM 34 C LIG 1 9.255 -2.550 -4.552 0.00 0.00 -0.034 C ATOM 35 C LIG 1 9.903 -2.804 -5.648 0.00 0.00 -0.048 C ATOM 36 C LIG 1 9.237 -3.578 -6.740 0.00 0.00 +0.026 C ATOM 37 C LIG 1 11.286 -2.262 -5.834 0.00 0.00 +0.026 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 8