REMARK Name = BDB064130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.885 2.129 -3.150 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.950 1.165 -2.824 0.00 0.00 -0.287 N ATOM 3 C LIG 1 -1.673 -0.024 -2.184 0.00 0.00 +0.221 C ATOM 4 O LIG 1 -0.506 -0.359 -1.970 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 -3.200 1.521 -3.481 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.743 2.356 -4.674 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.536 3.112 -4.135 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.444 2.056 -1.092 0.00 0.00 -0.310 N ATOM 9 H LIG 1 0.440 1.052 -1.288 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.410 2.826 -1.854 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.798 3.936 -1.498 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 0.785 2.453 0.251 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 3.463 -0.447 2.012 0.00 0.00 -0.010 A ATOM 14 C LIG 1 3.972 0.695 1.379 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.106 1.638 0.819 0.00 0.00 +0.006 A ATOM 16 C LIG 1 1.718 1.458 0.885 0.00 0.00 -0.030 A ATOM 17 C LIG 1 1.212 0.305 1.505 0.00 0.00 +0.006 A ATOM 18 C LIG 1 2.076 -0.637 2.066 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 5.394 -2.529 0.497 0.00 0.00 +0.067 C ATOM 20 C LIG 1 5.219 -2.338 1.961 0.00 0.00 +0.053 A ATOM 21 C LIG 1 4.369 -1.436 2.585 0.00 0.00 +0.042 A ATOM 22 S LIG 1 4.502 -1.595 4.289 0.00 0.00 -0.075 S ATOM 23 C LIG 1 5.672 -2.822 4.066 0.00 0.00 +0.156 A ATOM 24 N LIG 1 5.961 -3.134 2.823 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 -2.342 1.511 -5.754 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -1.735 0.835 -5.403 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -2.859 -0.869 -1.732 0.00 0.00 +0.131 C BRANCH 27 28 ATOM 28 C LIG 1 -2.628 -1.512 -0.377 0.00 0.00 -0.034 A ATOM 29 C LIG 1 -2.759 -0.801 0.844 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -3.136 0.661 0.876 0.00 0.00 +0.046 C ATOM 31 C LIG 1 -2.547 -1.481 2.066 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -2.086 -2.804 2.048 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -1.939 -3.494 0.850 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -2.220 -2.857 -0.353 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 N LIG 1 -2.571 -0.803 3.299 0.00 0.00 -0.358 N ATOM 36 H LIG 1 -3.233 -0.036 3.330 0.00 0.00 +0.142 HD ATOM 37 H LIG 1 -2.681 -1.421 4.098 0.00 0.00 +0.142 HD ENDBRANCH 31 35 ENDBRANCH 27 28 ENDBRANCH 3 27 TORSDOF 8