REMARK Name = BDB015197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.547 -1.619 -0.081 0.00 0.00 +0.023 A ATOM 2 C LIG 1 0.278 -1.502 0.521 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -0.823 -0.959 -0.155 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.664 -0.510 -1.463 0.00 0.00 +0.046 A ATOM 5 C LIG 1 0.579 -0.612 -2.088 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.667 -1.159 -1.405 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 6.220 -2.692 0.431 0.00 0.00 -0.323 N ATOM 8 C LIG 1 4.894 -2.647 0.781 0.00 0.00 +0.145 A ATOM 9 C LIG 1 4.768 -3.228 2.034 0.00 0.00 +0.037 A ATOM 10 C LIG 1 3.486 -3.259 2.569 0.00 0.00 +0.124 A ATOM 11 N LIG 1 2.456 -2.733 1.867 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 2.700 -2.194 0.649 0.00 0.00 +0.162 A ATOM 13 C LIG 1 6.061 -3.652 2.435 0.00 0.00 +0.031 A ATOM 14 N LIG 1 3.904 -2.121 0.042 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 6.937 -3.318 1.424 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 6.774 -2.201 -0.818 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 8.943 -1.247 -0.619 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 7.725 -1.037 -0.606 0.00 0.00 +0.235 C ATOM 19 N LIG 1 7.207 0.238 -0.404 0.00 0.00 -0.300 N ATOM 20 C LIG 1 5.779 0.569 -0.412 0.00 0.00 +0.108 C ATOM 21 C LIG 1 5.531 2.049 -0.681 0.00 0.00 +0.019 C ATOM 22 C LIG 1 6.237 2.943 0.337 0.00 0.00 +0.003 C ATOM 23 C LIG 1 7.531 2.331 0.872 0.00 0.00 +0.019 C ATOM 24 C LIG 1 8.138 1.327 -0.101 0.00 0.00 +0.108 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 O LIG 1 -1.972 -0.919 0.583 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.190 -0.507 -0.050 0.00 0.00 +0.261 C BRANCH 26 27 ATOM 27 C LIG 1 -3.373 1.016 0.019 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 O LIG 1 -3.673 1.415 1.368 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 -4.619 1.198 1.490 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.508 1.533 -0.893 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 -5.833 1.095 -0.402 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -6.788 2.225 -0.410 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.201 1.827 -0.039 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -8.629 0.493 -0.157 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -9.950 0.153 0.164 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -10.850 1.137 0.573 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.435 2.463 0.671 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.649 -0.577 -0.563 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -9.119 2.808 0.364 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -6.387 0.001 -1.219 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 9