REMARK Name = BDB013418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.262 0.145 1.059 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.664 -0.681 2.127 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.819 -0.323 3.022 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.015 -1.888 2.346 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.088 -2.272 1.538 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.509 -1.463 0.477 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.825 -0.254 0.256 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -0.958 1.461 0.749 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.891 0.087 -1.258 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.839 1.128 -1.549 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.545 1.472 -0.434 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.992 2.148 0.648 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -5.789 2.449 1.762 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -7.138 2.088 1.776 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -7.695 1.438 0.677 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -3.312 2.699 0.625 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -3.003 3.150 1.969 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -3.125 3.584 -0.503 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.388 1.282 0.358 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.902 1.137 -0.430 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.507 0.702 -1.022 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -3.501 -0.247 -3.783 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.895 -0.882 -2.454 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.689 -1.818 -0.433 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.919 -0.966 -0.116 0.00 0.00 -0.037 A ATOM 26 C LIG 1 4.462 -0.140 -1.121 0.00 0.00 +0.036 A ATOM 27 C LIG 1 5.596 0.634 -0.834 0.00 0.00 +0.113 A ATOM 28 N LIG 1 6.305 1.500 -1.622 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 7.302 1.992 -0.898 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 7.219 1.444 0.329 0.00 0.00 -0.247 N ATOM 31 C LIG 1 8.188 1.806 1.328 0.00 0.00 +0.175 C ATOM 32 C LIG 1 6.165 0.577 0.432 0.00 0.00 +0.089 A ATOM 33 C LIG 1 5.657 -0.228 1.456 0.00 0.00 +0.030 A ATOM 34 C LIG 1 4.524 -0.996 1.153 0.00 0.00 +0.006 A ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 3.042 -3.316 -0.463 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 4.041 -3.655 -1.533 0.00 0.00 +0.306 C ATOM 37 O LIG 1 5.063 -4.302 -1.375 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 3.680 -3.238 -2.760 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 4.411 -3.547 -3.338 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 8