REMARK Name = BDB051024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.227 0.770 -0.627 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.082 0.464 -1.090 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.298 -0.659 -1.917 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -0.798 -1.439 -2.252 0.00 0.00 +0.137 A ATOM 5 O LIG 1 -0.421 -2.476 -3.051 0.00 0.00 -0.463 OA ATOM 6 C LIG 1 0.918 -2.362 -3.242 0.00 0.00 +0.196 A ATOM 7 C LIG 1 -2.098 -1.187 -1.828 0.00 0.00 +0.070 A ATOM 8 C LIG 1 1.408 -1.265 -2.574 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -2.313 -0.064 -1.004 0.00 0.00 +0.037 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 1.252 1.297 -0.733 0.00 0.00 +0.245 C ATOM 11 N LIG 1 2.251 0.624 -0.064 0.00 0.00 -0.307 N ATOM 12 H LIG 1 2.008 -0.265 0.362 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 1.285 2.488 -1.009 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 3.361 1.342 0.523 0.00 0.00 +0.149 C BRANCH 14 15 ATOM 15 C LIG 1 4.523 0.422 0.716 0.00 0.00 +0.075 A ATOM 16 C LIG 1 4.347 -0.706 1.679 0.00 0.00 +0.257 A ATOM 17 O LIG 1 3.284 -0.900 2.261 0.00 0.00 -0.267 OA ATOM 18 N LIG 1 5.428 -1.531 1.869 0.00 0.00 -0.326 N ATOM 19 H LIG 1 5.280 -2.295 2.518 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 6.630 -1.406 1.214 0.00 0.00 +0.019 A ATOM 21 C LIG 1 7.681 -2.430 1.507 0.00 0.00 +0.063 C ATOM 22 C LIG 1 6.793 -0.395 0.348 0.00 0.00 +0.067 A ATOM 23 C LIG 1 5.726 0.557 0.129 0.00 0.00 +0.132 A BRANCH 23 24 ATOM 24 O LIG 1 5.999 1.542 -0.796 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 6.696 2.638 -0.200 0.00 0.00 +0.277 C ENDBRANCH 23 24 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 10 BRANCH 1 27 ATOM 26 C LIG 1 -1.909 3.204 -0.540 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -1.465 1.984 0.253 0.00 0.00 +0.034 C ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 N LIG 1 -3.627 0.234 -0.535 0.00 0.00 -0.327 N BRANCH 28 29 ATOM 29 C LIG 1 -4.039 -0.683 0.565 0.00 0.00 +0.078 C ATOM 30 C LIG 1 -4.904 -1.877 0.136 0.00 0.00 +0.050 C ATOM 31 C LIG 1 -5.769 -2.382 1.289 0.00 0.00 +0.161 C ATOM 32 O LIG 1 -5.096 -2.205 2.528 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -4.960 -0.829 2.891 0.00 0.00 +0.161 C ATOM 34 C LIG 1 -4.720 0.091 1.696 0.00 0.00 +0.050 C ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.528 0.551 -1.660 0.00 0.00 +0.102 C ATOM 36 C LIG 1 -5.762 1.319 -1.221 0.00 0.00 +0.024 C ENDBRANCH 28 35 ENDBRANCH 9 28 TORSDOF 8