REMARK Name = BDB013470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.808 1.970 -3.440 0.00 0.00 +0.044 C ATOM 2 C LIG 1 1.591 1.319 -2.846 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.670 0.399 -1.781 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.475 -0.127 -1.253 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -0.788 0.256 -1.736 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -0.844 1.160 -2.799 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.329 1.689 -3.340 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.986 -0.042 -1.165 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 3.615 0.994 -0.303 0.00 0.00 -0.171 NA ATOM 10 S LIG 1 3.223 0.913 1.355 0.00 0.00 +0.063 S ATOM 11 O LIG 1 1.869 0.408 1.471 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 3.579 2.150 2.014 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 4.323 -0.356 1.923 0.00 0.00 +0.126 A ATOM 14 C LIG 1 5.717 -0.197 1.881 0.00 0.00 +0.056 A ATOM 15 C LIG 1 6.480 -1.296 2.342 0.00 0.00 +0.025 A ATOM 16 C LIG 1 5.899 -2.469 2.835 0.00 0.00 +0.002 A ATOM 17 C LIG 1 4.519 -2.585 2.884 0.00 0.00 +0.002 A ATOM 18 N LIG 1 6.441 0.914 1.428 0.00 0.00 -0.330 N ATOM 19 C LIG 1 7.125 1.603 2.540 0.00 0.00 +0.129 C ATOM 20 C LIG 1 5.925 1.863 0.416 0.00 0.00 +0.122 C ATOM 21 C LIG 1 3.731 -1.533 2.429 0.00 0.00 +0.030 A ATOM 22 C LIG 1 5.044 1.240 -0.670 0.00 0.00 +0.128 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 -2.046 -0.336 -1.103 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 -3.069 0.740 -0.692 0.00 0.00 -0.034 A ATOM 25 C LIG 1 -2.902 1.470 0.525 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -1.738 1.230 1.450 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -3.868 2.452 0.843 0.00 0.00 +0.116 A ATOM 28 N LIG 1 -3.962 3.287 1.931 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 -5.042 4.041 1.788 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 -5.623 3.693 0.627 0.00 0.00 -0.247 N ATOM 31 C LIG 1 -6.824 4.367 0.214 0.00 0.00 +0.175 C ATOM 32 C LIG 1 -4.935 2.697 -0.012 0.00 0.00 +0.089 A ATOM 33 C LIG 1 -5.120 2.012 -1.209 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -4.167 1.038 -1.528 0.00 0.00 +0.007 A ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 -2.563 -1.467 -2.011 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -3.679 -2.242 -1.363 0.00 0.00 +0.309 C ATOM 37 O LIG 1 -4.829 -2.272 -1.782 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.228 -2.928 -0.281 0.00 0.00 -0.450 OA BRANCH 38 39 ATOM 39 C LIG 1 -4.231 -3.637 0.435 0.00 0.00 +0.287 C ATOM 40 C LIG 1 -3.755 -4.104 1.797 0.00 0.00 +0.348 C ATOM 41 O LIG 1 -3.003 -3.507 2.550 0.00 0.00 -0.247 OA ATOM 42 O LIG 1 -4.317 -5.321 2.083 0.00 0.00 -0.462 OA ATOM 43 C LIG 1 -5.092 -5.751 0.963 0.00 0.00 +0.236 C ATOM 44 C LIG 1 -4.572 -4.960 -0.209 0.00 0.00 +0.097 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 5 23 TORSDOF 8