REMARK Name = BDB026824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.034 0.345 0.445 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.675 1.590 -0.359 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.376 2.812 0.266 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.049 3.938 -0.491 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.017 3.860 -1.881 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.312 2.656 -2.517 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.640 1.528 -1.762 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -2.321 0.594 1.278 0.00 0.00 +0.187 C ATOM 9 O LIG 1 -2.292 1.274 2.309 0.00 0.00 -0.290 OA BRANCH 8 12 ATOM 10 C LIG 1 -2.994 -2.448 0.265 0.00 0.00 +0.064 C ATOM 11 C LIG 1 -3.844 -1.229 0.324 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.589 0.064 0.768 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.821 0.791 0.674 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -5.776 -0.067 0.132 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -7.097 0.326 -0.113 0.00 0.00 +0.026 A ATOM 16 C LIG 1 -7.453 1.639 0.206 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -6.523 2.522 0.749 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.206 2.112 0.986 0.00 0.00 +0.011 A ATOM 19 N LIG 1 -5.160 -1.277 -0.072 0.00 0.00 -0.358 N ATOM 20 H LIG 1 -5.629 -2.095 -0.436 0.00 0.00 +0.166 HD ENDBRANCH 8 12 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 0.044 -0.102 1.364 0.00 0.00 -0.303 NA ATOM 22 H LIG 1 0.196 0.634 2.056 0.00 0.00 +0.123 HD BRANCH 21 23 ATOM 23 C LIG 1 1.290 -0.438 0.677 0.00 0.00 +0.086 C BRANCH 23 24 ATOM 24 C LIG 1 2.313 -0.991 1.679 0.00 0.00 +0.050 C BRANCH 24 25 ATOM 25 C LIG 1 3.615 -1.352 1.004 0.00 0.00 -0.046 A ATOM 26 C LIG 1 3.818 -2.647 0.503 0.00 0.00 +0.005 A ATOM 27 C LIG 1 5.014 -2.979 -0.134 0.00 0.00 +0.029 A ATOM 28 C LIG 1 6.008 -2.008 -0.279 0.00 0.00 +0.105 A ATOM 29 C LIG 1 5.826 -0.717 0.220 0.00 0.00 +0.029 A ATOM 30 C LIG 1 4.626 -0.391 0.855 0.00 0.00 +0.005 A BRANCH 28 31 ATOM 31 S LIG 1 7.528 -2.435 -1.085 0.00 0.00 +0.056 S ATOM 32 O LIG 1 7.749 -3.853 -0.932 0.00 0.00 -0.153 OA ATOM 33 O LIG 1 8.526 -1.449 -0.741 0.00 0.00 -0.153 OA BRANCH 31 34 ATOM 34 N LIG 1 7.143 -2.142 -2.700 0.00 0.00 -0.204 NA ATOM 35 H LIG 1 7.729 -1.380 -3.043 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 6.151 -1.956 -2.846 0.00 0.00 +0.144 HD ENDBRANCH 31 34 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9