REMARK Name = BDB058326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.422 -1.061 -2.218 0.00 0.00 +0.161 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.226 -2.193 -0.894 0.00 0.00 +0.113 A ATOM 3 N LIG 1 -1.769 -1.135 -1.643 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.624 -0.092 -1.946 0.00 0.00 +0.258 A ATOM 5 O LIG 1 -2.328 0.856 -2.674 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -3.985 -0.143 -1.353 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -4.298 -1.230 -0.630 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -5.619 -1.412 0.071 0.00 0.00 +0.066 C ATOM 9 N LIG 1 -3.430 -2.267 -0.421 0.00 0.00 -0.238 NA BRANCH 2 10 ATOM 10 C LIG 1 -1.307 -3.357 -0.541 0.00 0.00 +0.074 C BRANCH 10 11 ATOM 11 C LIG 1 -0.780 -3.199 0.887 0.00 0.00 +0.007 C BRANCH 11 13 ATOM 12 C LIG 1 0.821 -4.076 2.622 0.00 0.00 +0.004 C ATOM 13 C LIG 1 0.266 -4.262 1.218 0.00 0.00 -0.003 C ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 2 10 BRANCH 6 14 ATOM 14 C LIG 1 -4.853 1.048 -1.643 0.00 0.00 +0.163 C BRANCH 14 15 ATOM 15 C LIG 1 -4.355 2.256 -0.875 0.00 0.00 +0.312 C ATOM 16 O LIG 1 -3.697 2.225 0.158 0.00 0.00 -0.250 OA BRANCH 15 17 ATOM 17 O LIG 1 -4.812 3.396 -1.476 0.00 0.00 -0.461 OA BRANCH 17 18 ATOM 18 C LIG 1 -4.399 4.645 -0.890 0.00 0.00 +0.177 C ATOM 19 C LIG 1 -4.637 5.862 -1.742 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -3.243 5.334 -1.561 0.00 0.00 +0.048 C ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 0.643 -0.686 -1.211 0.00 0.00 -0.028 A ATOM 22 C LIG 1 1.804 -1.461 -1.085 0.00 0.00 +0.006 A ATOM 23 C LIG 1 2.788 -1.125 -0.151 0.00 0.00 +0.009 A ATOM 24 C LIG 1 2.647 0.007 0.666 0.00 0.00 -0.017 A ATOM 25 C LIG 1 1.497 0.794 0.519 0.00 0.00 +0.009 A ATOM 26 C LIG 1 0.510 0.458 -0.412 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 3.667 0.347 1.668 0.00 0.00 -0.007 A ATOM 28 C LIG 1 4.951 0.832 1.343 0.00 0.00 +0.028 A ATOM 29 C LIG 1 5.893 1.095 2.353 0.00 0.00 +0.012 A ATOM 30 C LIG 1 5.567 0.881 3.692 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.305 0.406 4.030 0.00 0.00 +0.001 A ATOM 32 C LIG 1 3.366 0.143 3.029 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 C LIG 1 5.347 1.100 -0.047 0.00 0.00 +0.183 A ATOM 34 N LIG 1 6.544 0.692 -0.489 0.00 0.00 -0.271 N ATOM 35 H LIG 1 7.249 0.153 -0.019 0.00 0.00 +0.174 HD ATOM 36 C LIG 1 6.614 1.045 -1.782 0.00 0.00 +0.440 A ATOM 37 O LIG 1 7.545 0.805 -2.534 0.00 0.00 -0.221 OA ATOM 38 O LIG 1 5.463 1.710 -2.116 0.00 0.00 -0.295 OA ATOM 39 N LIG 1 4.649 1.718 -0.939 0.00 0.00 -0.054 NA ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 11