REMARK Name = BDB048437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.571 -0.198 -0.741 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.959 -0.027 -0.727 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -2.570 1.072 -1.351 0.00 0.00 -0.030 A ATOM 4 C LIG 1 -1.755 1.994 -2.022 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.370 1.833 -2.037 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.223 0.744 -1.394 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -0.132 -1.309 -0.076 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.258 -1.637 -0.145 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.031 -0.956 0.982 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 3.889 -3.064 2.834 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.205 -2.158 1.717 0.00 0.00 +0.126 A ATOM 12 C LIG 1 3.476 -1.284 0.939 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.306 -0.689 0.016 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.495 -1.207 0.263 0.00 0.00 +0.228 A ATOM 15 O LIG 1 5.502 -2.115 1.290 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.771 -0.951 -0.402 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.827 -0.036 -1.465 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.031 0.228 -2.121 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.198 -0.420 -1.721 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.161 -1.331 -0.668 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.955 -1.595 -0.012 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -4.076 1.240 -1.318 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 -4.641 2.025 -0.201 0.00 0.00 -0.284 NA BRANCH 23 24 ATOM 24 C LIG 1 -4.494 1.380 1.113 0.00 0.00 +0.120 C BRANCH 24 25 ATOM 25 C LIG 1 -5.275 0.090 1.267 0.00 0.00 -0.033 A ATOM 26 C LIG 1 -4.682 -1.029 1.871 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -5.406 -2.210 2.043 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.734 -2.283 1.626 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.340 -1.174 1.040 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.617 0.007 0.867 0.00 0.00 +0.005 A ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 31 ATOM 31 C LIG 1 -4.163 3.422 -0.139 0.00 0.00 +0.206 C BRANCH 31 32 ATOM 32 C LIG 1 -4.558 4.246 -1.359 0.00 0.00 +0.319 C ATOM 33 O LIG 1 -5.386 3.993 -2.219 0.00 0.00 -0.250 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.880 5.415 -1.414 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -4.247 5.852 -2.211 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 12