REMARK Name = BDB034616 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.732 0.091 -1.302 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.929 -0.516 -0.970 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.884 -1.063 -0.110 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.506 0.798 -2.275 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.647 -0.180 0.360 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.263 -0.907 1.493 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -0.925 -1.266 1.698 0.00 0.00 +0.046 A ATOM 8 N LIG 1 0.020 -0.935 0.781 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -0.362 -0.221 -0.317 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -1.662 0.182 -0.562 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -0.445 -2.027 2.919 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -1.128 -1.929 4.262 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -1.224 -3.200 3.467 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 -4.098 0.189 0.123 0.00 0.00 +0.120 C BRANCH 14 16 ATOM 15 C LIG 1 -5.669 2.042 -0.405 0.00 0.00 +0.074 C ATOM 16 N LIG 1 -4.332 1.642 0.126 0.00 0.00 -0.293 NA ATOM 17 C LIG 1 -4.121 2.218 1.477 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -5.355 2.876 2.141 0.00 0.00 +0.099 C ATOM 19 N LIG 1 -6.605 2.119 1.994 0.00 0.00 -0.303 NA ATOM 20 C LIG 1 -6.683 1.001 2.933 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -6.817 1.685 0.593 0.00 0.00 +0.103 C BRANCH 15 23 ATOM 22 C LIG 1 -7.312 2.076 -2.390 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -5.966 1.554 -1.863 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -4.865 1.997 -2.835 0.00 0.00 +0.009 C ENDBRANCH 15 23 ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 25 ATOM 25 C LIG 1 3.146 -0.491 -1.667 0.00 0.00 +0.034 A ATOM 26 C LIG 1 4.196 -1.261 -1.146 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.474 -1.320 -1.748 0.00 0.00 -0.032 A ATOM 28 C LIG 1 5.647 -0.547 -2.915 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.612 0.224 -3.447 0.00 0.00 +0.002 A ATOM 30 C LIG 1 3.363 0.249 -2.826 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 6.665 -2.192 -1.115 0.00 0.00 +0.080 C ATOM 32 C LIG 1 7.570 -2.978 -2.098 0.00 0.00 +0.177 C ATOM 33 O LIG 1 7.490 -4.167 -1.273 0.00 0.00 -0.378 OA ATOM 34 C LIG 1 6.335 -3.614 -0.587 0.00 0.00 +0.177 C BRANCH 31 35 ATOM 35 C LIG 1 7.521 -1.378 -0.133 0.00 0.00 +0.248 C ATOM 36 F LIG 1 8.147 -0.390 -0.848 0.00 0.00 -0.236 F BRANCH 35 37 ATOM 37 C LIG 1 6.724 -0.810 0.996 0.00 0.00 +0.168 A ATOM 38 N LIG 1 6.413 0.516 1.176 0.00 0.00 -0.318 N ATOM 39 C LIG 1 6.788 1.639 0.358 0.00 0.00 +0.151 C ATOM 40 C LIG 1 5.642 0.574 2.298 0.00 0.00 +0.224 A ATOM 41 N LIG 1 5.474 -0.634 2.783 0.00 0.00 -0.138 NA ATOM 42 N LIG 1 6.175 -1.502 1.979 0.00 0.00 -0.132 NA ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 27 31 ENDBRANCH 2 25 TORSDOF 9