REMARK Name = BDB024990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.320 -2.873 0.530 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.321 -3.009 -0.450 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.245 -4.246 -1.267 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.423 -4.338 -2.255 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.954 -4.410 -2.085 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.758 -3.920 -1.301 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.985 -2.467 -1.003 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.947 -1.516 -1.103 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.357 -1.704 -1.482 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.937 -0.521 -1.412 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.029 0.446 -1.010 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.181 -0.183 -0.789 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.431 0.260 -0.350 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.456 -0.691 -0.249 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.260 -2.042 -0.565 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.457 -1.930 1.303 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.314 1.867 -0.831 0.00 0.00 +0.089 C ATOM 18 C LIG 1 0.259 2.300 0.646 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -0.067 3.786 0.826 0.00 0.00 +0.017 C ATOM 20 C LIG 1 0.511 4.662 -0.290 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -0.038 4.238 -1.667 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -0.525 2.783 -1.730 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 2.031 4.654 -0.249 0.00 0.00 +0.308 C ATOM 24 O LIG 1 2.789 4.330 -1.148 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.516 5.067 0.938 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 3.487 4.949 0.866 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.171 -3.888 1.576 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.147 -3.962 0.582 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.385 -0.273 -1.731 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 3.225 0.143 -0.543 0.00 0.00 -0.040 A ATOM 31 C LIG 1 3.180 -0.558 0.666 0.00 0.00 +0.006 A ATOM 32 C LIG 1 3.949 -0.146 1.762 0.00 0.00 +0.023 A ATOM 33 C LIG 1 4.811 0.959 1.685 0.00 0.00 +0.029 A ATOM 34 C LIG 1 4.859 1.639 0.458 0.00 0.00 +0.023 A ATOM 35 C LIG 1 4.088 1.239 -0.640 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 N LIG 1 5.585 1.417 2.768 0.00 0.00 -0.336 N ATOM 37 C LIG 1 7.023 1.470 2.476 0.00 0.00 +0.129 C ATOM 38 C LIG 1 5.267 0.899 4.098 0.00 0.00 +0.129 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7