REMARK Name = BDB003471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.374 1.374 0.954 0.00 0.00 +0.127 A ATOM 2 C LIG 1 -1.661 1.533 0.374 0.00 0.00 +0.124 A ATOM 3 C LIG 1 -1.833 0.522 -0.567 0.00 0.00 +0.162 A ATOM 4 N LIG 1 -2.936 0.320 -1.313 0.00 0.00 -0.226 NA ATOM 5 C LIG 1 -3.901 1.223 -1.070 0.00 0.00 +0.092 A ATOM 6 C LIG 1 -3.757 2.268 -0.119 0.00 0.00 +0.090 A ATOM 7 C LIG 1 -4.808 3.158 0.064 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -5.995 3.046 -0.659 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -6.137 2.022 -1.585 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -5.089 1.122 -1.781 0.00 0.00 +0.030 A ATOM 11 N LIG 1 -0.696 -0.243 -0.576 0.00 0.00 -0.311 N ATOM 12 N LIG 1 -2.646 2.435 0.618 0.00 0.00 -0.241 NA ATOM 13 C LIG 1 0.211 0.293 0.303 0.00 0.00 +0.136 A ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 0.257 2.140 2.013 0.00 0.00 +0.345 C ATOM 15 O LIG 1 1.280 1.751 2.572 0.00 0.00 -0.245 OA BRANCH 14 16 ATOM 16 O LIG 1 -0.391 3.299 2.311 0.00 0.00 -0.461 OA BRANCH 16 18 ATOM 17 C LIG 1 1.256 5.018 2.744 0.00 0.00 +0.048 C ATOM 18 C LIG 1 0.198 4.105 3.337 0.00 0.00 +0.229 C ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 1 14 BRANCH 13 19 ATOM 19 N LIG 1 1.585 -0.207 0.565 0.00 0.00 -0.200 N ATOM 20 H LIG 1 1.899 0.126 1.491 0.00 0.00 +0.175 HD BRANCH 19 21 ATOM 21 S LIG 1 2.726 0.418 -0.560 0.00 0.00 +0.073 S ATOM 22 O LIG 1 2.301 0.092 -1.906 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 3.028 1.778 -0.168 0.00 0.00 -0.150 OA BRANCH 21 24 ATOM 24 C LIG 1 4.133 -0.594 -0.176 0.00 0.00 +0.109 A ATOM 25 C LIG 1 5.092 -0.130 0.729 0.00 0.00 +0.029 A ATOM 26 C LIG 1 6.202 -0.924 1.015 0.00 0.00 +0.002 A ATOM 27 C LIG 1 6.351 -2.167 0.395 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.396 -2.620 -0.516 0.00 0.00 +0.002 A ATOM 29 C LIG 1 4.283 -1.833 -0.808 0.00 0.00 +0.029 A ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 13 19 BRANCH 11 30 ATOM 30 C LIG 1 -0.534 -1.449 -1.368 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 -1.176 -2.664 -0.709 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -1.009 -3.904 -1.573 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 O LIG 1 -1.592 -5.010 -0.887 0.00 0.00 -0.383 OA ATOM 34 C LIG 1 -1.476 -6.214 -1.632 0.00 0.00 +0.193 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 11 30 TORSDOF 10