REMARK Name = BDB016738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.788 -0.462 -1.919 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.299 0.642 -2.643 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.929 0.927 -2.591 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.020 0.173 -1.862 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.246 0.809 -2.069 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.123 1.860 -2.899 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.498 -0.952 -1.164 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.186 1.909 -3.182 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.514 2.643 -3.798 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.868 -1.250 -1.208 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -7.753 -2.471 -1.313 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -7.119 -1.893 -0.447 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -6.113 -0.790 -0.689 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.256 -0.823 -1.938 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -6.322 0.239 -1.762 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -5.650 -0.410 0.689 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -6.316 -1.239 1.607 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -6.133 -1.167 2.972 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -5.237 -0.207 3.444 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -4.562 0.644 2.551 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.770 0.548 1.170 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -7.170 -2.105 0.919 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -7.774 -2.792 1.342 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 1.551 0.442 -1.517 0.00 0.00 +0.003 A ATOM 25 C LIG 1 1.682 0.019 -0.189 0.00 0.00 +0.010 A ATOM 26 C LIG 1 2.935 -0.331 0.325 0.00 0.00 +0.005 A ATOM 27 C LIG 1 4.085 -0.252 -0.475 0.00 0.00 -0.033 A ATOM 28 C LIG 1 3.953 0.175 -1.803 0.00 0.00 +0.005 A ATOM 29 C LIG 1 2.700 0.524 -2.315 0.00 0.00 +0.010 A BRANCH 27 30 ATOM 30 C LIG 1 5.440 -0.649 0.074 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.762 -0.011 1.360 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 6.003 1.444 1.238 0.00 0.00 +0.113 C ATOM 33 C LIG 1 7.494 1.820 1.218 0.00 0.00 +0.175 C ATOM 34 O LIG 1 8.205 1.388 2.387 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 7.625 0.230 3.003 0.00 0.00 +0.175 C ATOM 36 C LIG 1 6.920 -0.682 1.989 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 5 24 TORSDOF 4