REMARK Name = BDB007037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.327 -0.382 -1.591 0.00 0.00 +0.040 A ATOM 2 C LIG 1 3.969 -0.114 -1.359 0.00 0.00 +0.036 A ATOM 3 C LIG 1 3.358 -0.706 -0.269 0.00 0.00 +0.059 A ATOM 4 N LIG 1 2.033 -0.608 0.191 0.00 0.00 -0.268 N ATOM 5 C LIG 1 1.903 -1.461 1.389 0.00 0.00 +0.126 C ATOM 6 C LIG 1 3.278 -2.118 1.669 0.00 0.00 +0.025 C ATOM 7 C LIG 1 3.196 -3.643 1.569 0.00 0.00 +0.019 C ATOM 8 C LIG 1 3.835 -1.693 3.030 0.00 0.00 +0.019 C ATOM 9 C LIG 1 1.045 0.181 -0.378 0.00 0.00 +0.234 C ATOM 10 O LIG 1 1.245 0.940 -1.330 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 4.109 -1.547 0.542 0.00 0.00 +0.070 A ATOM 12 N LIG 1 5.413 -1.836 0.360 0.00 0.00 -0.257 NA ATOM 13 C LIG 1 5.989 -1.244 -0.713 0.00 0.00 +0.120 A ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 6.069 0.235 -2.747 0.00 0.00 +0.275 C ATOM 15 F LIG 1 5.246 0.560 -3.786 0.00 0.00 -0.200 F ATOM 16 F LIG 1 6.969 -0.650 -3.279 0.00 0.00 -0.200 F BRANCH 14 17 ATOM 17 C LIG 1 6.863 1.489 -2.360 0.00 0.00 +0.080 C BRANCH 17 19 ATOM 18 C LIG 1 6.828 3.910 -1.662 0.00 0.00 +0.004 C ATOM 19 C LIG 1 5.991 2.665 -1.915 0.00 0.00 +0.003 C ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 1 14 BRANCH 9 20 ATOM 20 C LIG 1 -0.368 0.083 0.236 0.00 0.00 +0.181 C BRANCH 20 21 ATOM 21 N LIG 1 -1.346 -0.473 -0.732 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -2.754 -0.391 -0.234 0.00 0.00 +0.085 C ATOM 23 C LIG 1 -3.748 -1.158 -1.166 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.358 -2.550 -1.457 0.00 0.00 -0.311 NA ATOM 25 H LIG 1 -3.345 -3.069 -0.581 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 -2.006 -2.544 -2.037 0.00 0.00 +0.065 C ATOM 27 C LIG 1 -1.588 -3.985 -2.325 0.00 0.00 +0.025 C ATOM 28 C LIG 1 -0.990 -1.866 -1.086 0.00 0.00 +0.103 C BRANCH 22 29 ATOM 29 C LIG 1 -3.254 1.087 -0.105 0.00 0.00 +0.104 C BRANCH 29 30 ATOM 30 N LIG 1 -4.620 1.216 0.432 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 -4.717 0.910 1.876 0.00 0.00 +0.115 C ATOM 32 C LIG 1 -5.156 2.109 2.748 0.00 0.00 +0.130 C ATOM 33 C LIG 1 -5.320 1.692 4.204 0.00 0.00 +0.039 C ATOM 34 O LIG 1 -6.406 2.659 2.314 0.00 0.00 -0.371 OA ATOM 35 C LIG 1 -6.513 2.806 0.887 0.00 0.00 +0.130 C ATOM 36 C LIG 1 -7.648 1.906 0.406 0.00 0.00 +0.039 C ATOM 37 C LIG 1 -5.188 2.544 0.135 0.00 0.00 +0.115 C ENDBRANCH 29 30 ENDBRANCH 22 29 ENDBRANCH 20 21 ENDBRANCH 9 20 TORSDOF 7