REMARK Name = BDB033660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.322 0.760 -1.810 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.488 0.512 -3.185 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.322 1.585 -4.224 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.877 -0.773 -3.598 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.079 -1.806 -2.676 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.898 -1.584 -1.307 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.522 -0.294 -0.894 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -0.046 2.118 -1.238 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.879 2.346 -0.941 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.090 1.278 -0.015 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -3.835 1.594 1.289 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -2.800 2.383 1.794 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -2.705 2.606 3.182 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -3.626 2.034 4.059 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.639 1.222 3.561 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -1.486 3.055 0.812 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -1.876 4.385 0.392 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -0.270 2.846 1.575 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -1.379 2.087 -0.571 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -4.742 1.009 2.185 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.489 2.191 -1.566 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -6.367 2.381 -1.490 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.953 2.241 -2.040 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 1.134 -2.653 -0.241 0.00 0.00 +0.066 C BRANCH 24 25 ATOM 25 C LIG 1 2.453 -2.423 0.488 0.00 0.00 -0.002 A ATOM 26 S LIG 1 3.964 -2.613 -0.301 0.00 0.00 -0.088 S ATOM 27 C LIG 1 4.852 -2.238 1.118 0.00 0.00 +0.074 A ATOM 28 C LIG 1 4.001 -1.974 2.176 0.00 0.00 +0.021 A ATOM 29 C LIG 1 2.627 -2.080 1.815 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 6.309 -2.246 1.065 0.00 0.00 +0.250 C ATOM 31 N LIG 1 6.926 -1.530 2.077 0.00 0.00 -0.314 N ATOM 32 H LIG 1 6.366 -0.872 2.601 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 8.357 -1.374 2.099 0.00 0.00 +0.128 C ATOM 34 O LIG 1 6.961 -2.821 0.196 0.00 0.00 -0.270 OA ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 1.006 -4.102 -0.741 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 0.922 -5.054 0.423 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -0.120 -5.320 1.006 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 2.109 -5.583 0.791 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 2.879 -5.231 0.301 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 9