REMARK Name = BDB024644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.146 0.691 -1.161 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.162 -0.271 -0.892 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.655 -1.631 -0.627 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.829 -1.879 0.874 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.780 -2.670 -1.320 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.347 -2.575 -0.839 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.854 -1.155 -0.789 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.464 -0.910 -0.691 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.435 -1.822 -0.669 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.674 -1.112 -0.624 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.399 0.234 -0.484 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.972 0.384 -0.583 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.821 1.488 -0.564 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.199 1.244 -0.661 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.740 -0.045 -0.797 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.345 0.506 -0.959 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.373 1.286 -0.205 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.540 2.277 -1.369 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -2.137 3.619 -0.924 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -3.066 3.478 0.284 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -2.295 2.937 1.500 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -1.130 2.005 1.130 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -4.104 2.564 -0.089 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -5.315 2.759 0.634 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.693 2.777 -2.092 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.681 1.829 -1.750 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.030 -1.748 -0.606 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.262 -2.411 0.763 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.708 -2.180 1.198 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.983 -1.284 2.247 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -5.300 -1.016 2.624 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.345 -1.639 1.954 0.00 0.00 +0.123 A ATOM 33 F LIG 1 -7.608 -1.375 2.314 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.099 -2.526 0.914 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -4.783 -2.796 0.534 0.00 0.00 +0.007 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -1.838 -3.883 0.744 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -2.547 -4.820 1.089 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -0.559 -4.097 0.350 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -0.054 -3.298 0.054 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8