REMARK Name = BDB036473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.756 -0.350 0.674 0.00 0.00 +0.142 A ATOM 2 C LIG 1 3.617 -1.458 -0.208 0.00 0.00 +0.078 A ATOM 3 C LIG 1 2.424 -1.632 -0.924 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.422 -0.686 -0.720 0.00 0.00 +0.171 A ATOM 5 C LIG 1 1.526 0.399 0.127 0.00 0.00 +0.068 A ATOM 6 C LIG 1 0.271 1.052 -0.002 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -0.525 0.408 -0.860 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 0.198 -0.682 -1.308 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 2.718 0.582 0.851 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 5.234 0.873 2.105 0.00 0.00 +0.277 C ATOM 11 O LIG 1 4.965 -0.291 1.334 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 4.726 -2.327 -0.357 0.00 0.00 -0.295 N ATOM 13 H LIG 1 5.357 -2.238 0.438 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 5.080 -3.266 -1.256 0.00 0.00 +0.145 A ATOM 15 N LIG 1 6.027 -4.171 -0.996 0.00 0.00 -0.159 NA ATOM 16 N LIG 1 6.112 -4.902 -2.116 0.00 0.00 -0.283 N ATOM 17 H LIG 1 6.773 -5.671 -2.138 0.00 0.00 +0.188 HD ATOM 18 C LIG 1 5.282 -4.475 -3.107 0.00 0.00 +0.107 A ATOM 19 C LIG 1 4.605 -3.401 -2.581 0.00 0.00 +0.064 A ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 20 ATOM 20 N LIG 1 -0.086 2.199 0.695 0.00 0.00 -0.196 N ATOM 21 H LIG 1 0.481 2.502 1.479 0.00 0.00 +0.175 HD BRANCH 20 22 ATOM 22 S LIG 1 -1.638 2.827 0.741 0.00 0.00 +0.081 S ATOM 23 O LIG 1 -1.627 3.797 1.822 0.00 0.00 -0.150 OA ATOM 24 O LIG 1 -1.964 3.244 -0.607 0.00 0.00 -0.150 OA BRANCH 22 25 ATOM 25 C LIG 1 -2.666 1.488 1.274 0.00 0.00 +0.191 A ATOM 26 C LIG 1 -3.874 1.198 0.632 0.00 0.00 +0.151 A ATOM 27 C LIG 1 -4.648 0.114 1.066 0.00 0.00 +0.048 A ATOM 28 C LIG 1 -4.212 -0.692 2.117 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -3.019 -0.394 2.770 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -2.264 0.713 2.373 0.00 0.00 +0.150 A BRANCH 30 31 ATOM 31 O LIG 1 -1.102 0.993 3.048 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 -1.384 1.495 4.359 0.00 0.00 +0.277 C ENDBRANCH 30 31 BRANCH 26 33 ATOM 33 O LIG 1 -4.362 2.037 -0.337 0.00 0.00 -0.487 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.819 1.435 -1.568 0.00 0.00 +0.174 C ATOM 35 C LIG 1 -3.761 0.753 -2.474 0.00 0.00 +0.045 C ATOM 36 C LIG 1 -4.518 1.334 -3.683 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -5.038 2.431 -2.737 0.00 0.00 +0.045 C ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 22 25 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 9