REMARK Name = BDB058416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.238 -1.969 -1.573 0.00 0.00 -0.008 A ATOM 2 C LIG 1 -2.612 -1.641 -1.329 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -3.393 -2.695 -1.813 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -4.796 -2.685 -1.739 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -5.417 -1.581 -1.147 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -4.659 -0.523 -0.635 0.00 0.00 +0.038 A ATOM 7 N LIG 1 -2.523 -3.630 -2.332 0.00 0.00 -0.349 N ATOM 8 C LIG 1 -2.914 -4.885 -2.934 0.00 0.00 +0.149 C ATOM 9 C LIG 1 -3.260 -0.536 -0.737 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.232 -3.204 -2.196 0.00 0.00 +0.091 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -5.303 0.658 0.007 0.00 0.00 +0.248 C ATOM 12 N LIG 1 -6.410 0.362 0.783 0.00 0.00 -0.282 N ATOM 13 H LIG 1 -6.614 -0.617 0.931 0.00 0.00 +0.155 HD ATOM 14 O LIG 1 -4.798 1.761 -0.164 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 -7.237 1.271 1.475 0.00 0.00 +0.034 A ATOM 16 C LIG 1 -8.254 0.728 2.275 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -9.119 1.561 2.989 0.00 0.00 +0.040 A ATOM 18 C LIG 1 -8.968 2.938 2.902 0.00 0.00 +0.124 A ATOM 19 F LIG 1 -9.796 3.738 3.586 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -7.970 3.495 2.114 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -7.105 2.661 1.399 0.00 0.00 +0.026 A ENDBRANCH 12 15 ENDBRANCH 6 11 BRANCH 1 22 ATOM 22 C LIG 1 -0.036 -1.136 -1.239 0.00 0.00 +0.121 C BRANCH 22 24 ATOM 23 C LIG 1 0.137 -1.773 1.103 0.00 0.00 +0.105 C ATOM 24 N LIG 1 0.779 -1.802 -0.211 0.00 0.00 -0.301 NA BRANCH 24 25 ATOM 25 C LIG 1 2.152 -1.267 -0.166 0.00 0.00 +0.089 C BRANCH 25 26 ATOM 26 C LIG 1 2.309 0.217 0.214 0.00 0.00 +0.050 C BRANCH 26 27 ATOM 27 C LIG 1 3.760 0.640 0.207 0.00 0.00 -0.046 A ATOM 28 C LIG 1 4.342 1.159 -0.955 0.00 0.00 +0.004 A ATOM 29 C LIG 1 5.690 1.534 -0.965 0.00 0.00 +0.009 A ATOM 30 C LIG 1 6.490 1.397 0.180 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.896 0.871 1.338 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.549 0.495 1.352 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 7.909 1.792 0.167 0.00 0.00 -0.018 A ATOM 34 C LIG 1 8.422 2.682 1.126 0.00 0.00 +0.008 A ATOM 35 C LIG 1 9.768 3.059 1.114 0.00 0.00 +0.001 A ATOM 36 C LIG 1 10.625 2.551 0.141 0.00 0.00 +0.000 A ATOM 37 C LIG 1 10.137 1.667 -0.819 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.791 1.292 -0.805 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 8