REMARK Name = BDB013606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.823 -0.912 -1.185 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.520 -0.385 -1.213 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.615 -1.204 -1.369 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.439 -2.592 -1.529 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.608 -3.528 -1.682 0.00 0.00 +0.044 C ATOM 6 C LIG 1 0.860 -3.120 -1.507 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.975 -2.295 -1.332 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.989 0.042 -0.928 0.00 0.00 +0.060 C BRANCH 8 9 ATOM 9 C LIG 1 3.098 0.368 0.564 0.00 0.00 -0.037 A ATOM 10 C LIG 1 2.743 1.656 1.016 0.00 0.00 +0.036 A ATOM 11 C LIG 1 2.798 1.941 2.388 0.00 0.00 +0.113 A ATOM 12 N LIG 1 2.498 3.087 3.071 0.00 0.00 -0.129 NA ATOM 13 N LIG 1 2.705 2.863 4.362 0.00 0.00 -0.065 NA ATOM 14 N LIG 1 3.131 1.591 4.488 0.00 0.00 -0.247 N ATOM 15 C LIG 1 3.438 1.078 5.796 0.00 0.00 +0.175 C ATOM 16 C LIG 1 3.207 0.956 3.278 0.00 0.00 +0.089 A ATOM 17 C LIG 1 3.573 -0.329 2.872 0.00 0.00 +0.030 A ATOM 18 C LIG 1 3.504 -0.602 1.498 0.00 0.00 +0.006 A ENDBRANCH 8 9 BRANCH 8 19 ATOM 19 C LIG 1 4.352 -0.389 -1.493 0.00 0.00 +0.133 C BRANCH 19 20 ATOM 20 C LIG 1 4.309 -0.432 -2.999 0.00 0.00 +0.308 C ATOM 21 O LIG 1 3.995 0.515 -3.706 0.00 0.00 -0.251 OA BRANCH 20 23 ATOM 22 C LIG 1 4.638 -1.794 -4.872 0.00 0.00 +0.280 C ATOM 23 O LIG 1 4.679 -1.662 -3.450 0.00 0.00 -0.468 OA ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 -1.989 -0.560 -1.319 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 N LIG 1 -2.731 -0.886 -0.077 0.00 0.00 -0.169 NA ATOM 26 S LIG 1 -4.412 -0.965 -0.211 0.00 0.00 +0.065 S ATOM 27 O LIG 1 -4.712 -1.757 -1.387 0.00 0.00 -0.153 OA ATOM 28 O LIG 1 -4.953 -1.331 1.081 0.00 0.00 -0.153 OA ATOM 29 C LIG 1 -4.948 0.692 -0.547 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -4.238 1.832 -0.166 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -4.703 3.088 -0.579 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -5.874 3.213 -1.327 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.590 2.077 -1.688 0.00 0.00 +0.002 A ATOM 34 O LIG 1 -3.069 1.896 0.539 0.00 0.00 -0.486 OA ATOM 35 C LIG 1 -2.954 0.972 1.627 0.00 0.00 +0.186 C ATOM 36 C LIG 1 -2.177 1.683 2.735 0.00 0.00 +0.053 C ATOM 37 C LIG 1 -6.126 0.819 -1.306 0.00 0.00 +0.032 A ATOM 38 C LIG 1 -2.185 -0.274 1.166 0.00 0.00 +0.154 C ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7