REMARK Name = BDB013437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.888 -3.432 -1.135 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -1.549 -3.041 -0.572 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.378 -2.056 0.419 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.071 -1.789 0.879 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.069 -2.416 0.342 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.876 -3.369 -0.658 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.413 -3.676 -1.103 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.520 -1.260 1.024 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 -2.764 0.099 0.470 0.00 0.00 -0.175 NA ATOM 10 C LIG 1 -1.636 1.038 0.620 0.00 0.00 +0.132 C BRANCH 9 11 ATOM 11 S LIG 1 -3.590 0.152 -1.010 0.00 0.00 +0.061 S ATOM 12 O LIG 1 -4.717 -0.755 -0.947 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 -2.615 0.071 -2.078 0.00 0.00 -0.153 OA BRANCH 11 14 ATOM 14 C LIG 1 -4.269 1.797 -1.013 0.00 0.00 +0.105 A ATOM 15 C LIG 1 -3.831 2.737 -1.949 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -4.379 4.020 -1.936 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -5.357 4.354 -0.997 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.797 3.407 -0.070 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -5.255 2.122 -0.076 0.00 0.00 +0.028 A ENDBRANCH 11 14 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 20 ATOM 20 C LIG 1 2.444 -1.978 0.860 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C LIG 1 2.733 -0.504 0.505 0.00 0.00 -0.034 A ATOM 22 C LIG 1 3.146 0.430 1.498 0.00 0.00 -0.017 A ATOM 23 C LIG 1 3.323 0.037 2.938 0.00 0.00 +0.046 C ATOM 24 C LIG 1 3.374 1.761 1.082 0.00 0.00 +0.116 A ATOM 25 N LIG 1 3.757 2.860 1.810 0.00 0.00 -0.129 NA ATOM 26 N LIG 1 3.840 3.897 0.988 0.00 0.00 -0.065 NA ATOM 27 N LIG 1 3.517 3.462 -0.242 0.00 0.00 -0.247 N ATOM 28 C LIG 1 3.525 4.391 -1.340 0.00 0.00 +0.175 C ATOM 29 C LIG 1 3.212 2.127 -0.249 0.00 0.00 +0.089 A ATOM 30 C LIG 1 2.826 1.230 -1.243 0.00 0.00 +0.030 A ATOM 31 C LIG 1 2.594 -0.087 -0.838 0.00 0.00 +0.007 A ENDBRANCH 20 21 BRANCH 20 32 ATOM 32 C LIG 1 3.657 -2.822 0.421 0.00 0.00 +0.133 C BRANCH 32 33 ATOM 33 C LIG 1 3.667 -4.187 1.066 0.00 0.00 +0.306 C ATOM 34 O LIG 1 3.061 -4.495 2.078 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 4.482 -5.057 0.423 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 4.949 -4.681 -0.346 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 20 32 ENDBRANCH 5 20 TORSDOF 9