REMARK Name = BDB049242 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.005 0.716 -0.740 0.00 0.00 -0.023 A ATOM 2 C LIG 1 -0.515 0.654 0.560 0.00 0.00 +0.115 A ATOM 3 N LIG 1 0.761 0.331 0.880 0.00 0.00 -0.255 NA ATOM 4 C LIG 1 1.606 0.018 -0.130 0.00 0.00 +0.067 A ATOM 5 C LIG 1 1.192 0.007 -1.458 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -0.121 0.362 -1.762 0.00 0.00 +0.007 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.992 -0.318 0.258 0.00 0.00 -0.023 C ATOM 8 C LIG 1 3.742 -1.344 -0.550 0.00 0.00 +0.056 C ATOM 9 C LIG 1 4.927 -1.917 0.235 0.00 0.00 +0.113 C ATOM 10 N LIG 1 5.715 -0.847 0.857 0.00 0.00 -0.296 N ATOM 11 C LIG 1 7.091 -0.714 0.798 0.00 0.00 +0.237 C ATOM 12 O LIG 1 7.684 0.194 1.391 0.00 0.00 -0.274 OA ATOM 13 C LIG 1 4.984 0.024 1.776 0.00 0.00 +0.135 C ATOM 14 C LIG 1 3.577 0.266 1.321 0.00 0.00 -0.003 C BRANCH 11 15 ATOM 15 C LIG 1 7.905 -1.689 0.006 0.00 0.00 +0.261 C BRANCH 15 16 ATOM 16 S LIG 1 8.097 -1.128 -1.661 0.00 0.00 -0.025 S ATOM 17 O LIG 1 9.154 -1.931 -2.254 0.00 0.00 -0.174 OA ATOM 18 O LIG 1 6.789 -1.090 -2.291 0.00 0.00 -0.174 OA ATOM 19 C LIG 1 8.705 0.541 -1.534 0.00 0.00 +0.194 C ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 23 ATOM 20 N LIG 1 -4.335 0.620 0.289 0.00 0.00 -0.296 NA ATOM 21 C LIG 1 -4.430 2.031 -0.095 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -2.951 2.405 -0.338 0.00 0.00 +0.079 C ATOM 23 C LIG 1 -2.425 1.127 -1.062 0.00 0.00 +0.053 C ATOM 24 C LIG 1 -3.439 0.019 -0.703 0.00 0.00 +0.094 C BRANCH 22 25 ATOM 25 N LIG 1 -2.753 3.677 -1.081 0.00 0.00 -0.304 NA ATOM 26 C LIG 1 -3.401 4.798 -0.387 0.00 0.00 +0.104 C ATOM 27 C LIG 1 -1.325 3.977 -1.243 0.00 0.00 +0.104 C ENDBRANCH 22 25 BRANCH 20 28 ATOM 28 C LIG 1 -5.649 -0.023 0.388 0.00 0.00 +0.122 C BRANCH 28 31 ATOM 29 C LIG 1 -6.018 -2.647 -1.126 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -5.741 -2.600 0.355 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.591 -1.381 1.054 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.366 -1.430 2.440 0.00 0.00 +0.128 A ATOM 33 F LIG 1 -5.240 -0.291 3.137 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -5.270 -2.635 3.128 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -5.401 -3.833 2.436 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -5.639 -3.813 1.060 0.00 0.00 +0.004 A ENDBRANCH 28 31 ENDBRANCH 20 28 ENDBRANCH 1 23 TORSDOF 7