REMARK Name = BDB011482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.043 -1.762 0.389 0.00 0.00 +0.100 C ATOM 2 C LIG 1 -2.297 -0.859 -0.831 0.00 0.00 +0.128 C ATOM 3 N LIG 1 -1.901 0.542 -0.589 0.00 0.00 -0.323 N ATOM 4 C LIG 1 -0.591 0.799 -1.055 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.539 0.362 -0.315 0.00 0.00 +0.050 A ATOM 6 C LIG 1 1.859 0.634 -0.762 0.00 0.00 +0.049 A ATOM 7 C LIG 1 2.045 1.314 -1.963 0.00 0.00 +0.024 A ATOM 8 C LIG 1 0.944 1.741 -2.705 0.00 0.00 +0.004 A ATOM 9 S LIG 1 0.335 -0.509 1.264 0.00 0.00 -0.120 S ATOM 10 C LIG 1 -0.353 1.491 -2.254 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -0.551 -1.983 0.666 0.00 0.00 +0.098 C ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -3.902 -3.413 0.723 0.00 0.00 +0.230 C ATOM 13 N LIG 1 -2.688 -3.064 0.175 0.00 0.00 -0.309 N ATOM 14 H LIG 1 -2.212 -3.811 -0.320 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -4.567 -2.655 1.416 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 -4.362 -4.830 0.307 0.00 0.00 +0.137 C ATOM 17 C LIG 1 -5.482 -5.353 1.202 0.00 0.00 +0.034 C BRANCH 16 19 ATOM 18 C LIG 1 -2.607 -6.138 1.442 0.00 0.00 +0.101 C ATOM 19 N LIG 1 -3.205 -5.751 0.166 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 -3.531 -6.607 -0.283 0.00 0.00 +0.122 HD ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 6 21 ATOM 21 N LIG 1 2.935 0.211 0.054 0.00 0.00 -0.283 N ATOM 22 H LIG 1 2.635 -0.203 0.932 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 4.296 0.316 -0.178 0.00 0.00 +0.243 C ATOM 24 O LIG 1 4.824 0.740 -1.198 0.00 0.00 -0.273 OA BRANCH 23 25 ATOM 25 C LIG 1 5.118 -0.211 1.019 0.00 0.00 +0.255 C BRANCH 25 26 ATOM 26 O LIG 1 6.502 0.088 1.042 0.00 0.00 -0.368 OA BRANCH 26 27 ATOM 27 C LIG 1 7.270 -0.729 0.151 0.00 0.00 +0.188 C BRANCH 27 28 ATOM 28 C LIG 1 8.744 -0.321 0.228 0.00 0.00 +0.187 C BRANCH 28 29 ATOM 29 O LIG 1 9.438 -0.925 1.326 0.00 0.00 -0.381 OA ATOM 30 C LIG 1 9.042 -0.410 2.593 0.00 0.00 +0.194 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 6 21 BRANCH 3 31 ATOM 31 C LIG 1 -2.968 1.529 -0.876 0.00 0.00 +0.141 C BRANCH 31 32 ATOM 32 C LIG 1 -2.688 2.930 -0.346 0.00 0.00 -0.022 A ATOM 33 C LIG 1 -3.092 4.107 -1.050 0.00 0.00 -0.013 A ATOM 34 C LIG 1 -2.799 5.375 -0.480 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -3.167 6.556 -1.147 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -3.835 6.517 -2.370 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.145 5.292 -2.941 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -2.147 5.455 0.758 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -1.793 4.307 1.457 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -3.780 4.106 -2.291 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -2.070 3.058 0.914 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 3 31 TORSDOF 11