REMARK Name = BDB040910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.697 -1.829 -0.719 0.00 0.00 -0.254 N ATOM 2 C LIG 1 2.235 -0.548 -0.550 0.00 0.00 +0.135 A ATOM 3 C LIG 1 1.713 0.609 -1.086 0.00 0.00 +0.025 A ATOM 4 C LIG 1 2.787 1.534 -1.036 0.00 0.00 +0.066 A ATOM 5 N LIG 1 3.841 1.024 -0.386 0.00 0.00 -0.170 NA ATOM 6 C LIG 1 2.882 2.892 -1.630 0.00 0.00 +0.068 C ATOM 7 C LIG 1 0.386 0.636 -1.748 0.00 0.00 +0.084 C ATOM 8 C LIG 1 -0.440 -0.646 -1.463 0.00 0.00 +0.175 C ATOM 9 N LIG 1 3.379 -0.149 0.132 0.00 0.00 -0.218 N ATOM 10 C LIG 1 0.405 -1.932 -1.255 0.00 0.00 +0.242 C ATOM 11 O LIG 1 -0.113 -3.031 -1.499 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -0.321 1.954 -1.462 0.00 0.00 -0.037 A ATOM 13 C LIG 1 -0.324 2.574 -0.198 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -1.011 3.771 0.014 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -1.709 4.355 -1.033 0.00 0.00 +0.123 A ATOM 16 F LIG 1 -2.371 5.501 -0.829 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -1.732 3.765 -2.289 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -1.043 2.570 -2.503 0.00 0.00 +0.007 A ENDBRANCH 7 12 BRANCH 9 19 ATOM 19 C LIG 1 3.991 -0.690 1.296 0.00 0.00 +0.067 A ATOM 20 C LIG 1 5.312 -0.339 1.609 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.915 -0.845 2.763 0.00 0.00 +0.002 A ATOM 22 C LIG 1 5.198 -1.681 3.617 0.00 0.00 +0.000 A ATOM 23 C LIG 1 3.873 -2.005 3.328 0.00 0.00 +0.002 A ATOM 24 C LIG 1 3.264 -1.505 2.175 0.00 0.00 +0.028 A ENDBRANCH 9 19 BRANCH 8 25 ATOM 25 N LIG 1 -1.552 -0.586 -0.474 0.00 0.00 -0.285 N ATOM 26 C LIG 1 -1.249 -0.389 0.873 0.00 0.00 +0.247 C ATOM 27 O LIG 1 -0.108 -0.344 1.323 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.351 -0.207 1.843 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -3.261 0.845 1.696 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -4.288 1.024 2.635 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -4.375 0.138 3.722 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -3.448 -0.895 3.878 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -2.429 -1.065 2.943 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -5.294 2.139 2.486 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -6.547 1.671 2.230 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -5.401 2.902 3.608 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -5.004 3.001 1.472 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 BRANCH 25 38 ATOM 38 C LIG 1 -2.860 -1.087 -0.925 0.00 0.00 +0.108 C BRANCH 38 39 ATOM 39 C LIG 1 -3.590 -0.091 -1.827 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -4.975 -0.594 -2.202 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 25 38 ENDBRANCH 8 25 BRANCH 1 41 ATOM 41 C LIG 1 2.474 -3.068 -0.610 0.00 0.00 +0.115 C BRANCH 41 43 ATOM 42 C LIG 1 4.017 -2.690 -2.606 0.00 0.00 +0.005 C ATOM 43 C LIG 1 2.976 -3.595 -1.962 0.00 0.00 +0.016 C ENDBRANCH 41 43 ENDBRANCH 1 41 TORSDOF 9