REMARK Name = BDB053266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.437 -0.711 0.236 0.00 0.00 +0.126 A ATOM 2 N LIG 1 1.416 -0.669 -0.643 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 1.318 -1.633 -1.593 0.00 0.00 +0.117 A ATOM 4 C LIG 1 2.228 -2.682 -1.703 0.00 0.00 +0.087 A ATOM 5 C LIG 1 3.277 -2.743 -0.773 0.00 0.00 -0.027 A ATOM 6 C LIG 1 4.293 -3.853 -0.791 0.00 0.00 +0.045 C ATOM 7 C LIG 1 3.365 -1.742 0.206 0.00 0.00 +0.048 A ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 2.437 0.325 1.171 0.00 0.00 -0.285 N ATOM 9 H LIG 1 1.594 0.873 1.007 0.00 0.00 +0.155 HD BRANCH 8 15 ATOM 10 C LIG 1 6.599 1.654 3.609 0.00 0.00 +0.067 C ATOM 11 C LIG 1 5.223 1.468 3.091 0.00 0.00 +0.062 A ATOM 12 N LIG 1 4.209 2.172 3.604 0.00 0.00 -0.178 NA ATOM 13 N LIG 1 3.146 1.764 2.893 0.00 0.00 -0.264 N ATOM 14 H LIG 1 2.243 2.168 3.109 0.00 0.00 +0.190 HD ATOM 15 C LIG 1 3.430 0.807 1.952 0.00 0.00 +0.120 A ATOM 16 C LIG 1 4.787 0.605 2.057 0.00 0.00 +0.068 A ENDBRANCH 8 15 ENDBRANCH 1 8 BRANCH 4 17 ATOM 17 C LIG 1 2.091 -3.684 -2.719 0.00 0.00 +0.102 C ATOM 18 N LIG 1 2.002 -4.521 -3.518 0.00 0.00 -0.191 NA ENDBRANCH 4 17 BRANCH 3 19 ATOM 19 S LIG 1 -0.062 -1.417 -2.706 0.00 0.00 -0.105 S BRANCH 19 20 ATOM 20 C LIG 1 -1.372 -2.214 -1.717 0.00 0.00 +0.076 C BRANCH 20 21 ATOM 21 C LIG 1 -1.876 -1.397 -0.525 0.00 0.00 +0.011 C BRANCH 21 22 ATOM 22 C LIG 1 -2.485 -0.044 -0.909 0.00 0.00 +0.001 C BRANCH 22 23 ATOM 23 C LIG 1 -3.061 0.669 0.320 0.00 0.00 +0.003 C BRANCH 23 24 ATOM 24 C LIG 1 -3.690 2.030 -0.019 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 -5.222 2.025 -0.216 0.00 0.00 +0.061 C ATOM 26 C LIG 1 -5.713 3.450 -0.495 0.00 0.00 +0.041 C ATOM 27 C LIG 1 -5.682 1.097 -1.338 0.00 0.00 +0.041 C BRANCH 25 28 ATOM 28 O LIG 1 -5.848 1.575 0.989 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -5.599 2.187 1.703 0.00 0.00 +0.210 HD ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 11