REMARK Name = BDB026479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.282 2.523 -0.501 0.00 0.00 -0.252 OA ATOM 2 C LIG 1 -0.423 1.925 0.553 0.00 0.00 +0.305 C ATOM 3 N LIG 1 -1.422 0.994 0.856 0.00 0.00 -0.281 N ATOM 4 C LIG 1 -1.382 0.667 2.267 0.00 0.00 +0.128 C ATOM 5 C LIG 1 0.030 1.066 2.675 0.00 0.00 +0.128 C ATOM 6 N LIG 1 0.382 2.057 1.683 0.00 0.00 -0.278 N ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.609 0.854 0.025 0.00 0.00 +0.142 C BRANCH 7 8 ATOM 8 C LIG 1 -3.453 -0.402 0.294 0.00 0.00 +0.146 C BRANCH 8 9 ATOM 9 O LIG 1 -2.681 -1.586 0.052 0.00 0.00 -0.389 OA ATOM 10 H LIG 1 -3.339 -2.273 -0.179 0.00 0.00 +0.210 HD ENDBRANCH 8 9 BRANCH 8 11 ATOM 11 C LIG 1 -4.698 -0.424 -0.621 0.00 0.00 +0.117 C BRANCH 11 12 ATOM 12 N LIG 1 -5.433 -1.709 -0.533 0.00 0.00 -0.295 NA ATOM 13 C LIG 1 -6.465 -1.797 -1.590 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -7.711 -0.976 -1.334 0.00 0.00 -0.030 A ATOM 15 C LIG 1 -8.076 -0.604 -0.026 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -9.254 0.124 0.187 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -10.075 0.464 -0.887 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -9.726 0.083 -2.180 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.174 -0.933 1.137 0.00 0.00 +0.051 C ATOM 20 C LIG 1 -8.552 -0.637 -2.403 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -6.079 -1.946 0.771 0.00 0.00 +0.089 C ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 3 7 BRANCH 6 22 ATOM 22 C LIG 1 1.671 2.719 1.663 0.00 0.00 +0.164 C BRANCH 22 23 ATOM 23 C LIG 1 2.812 1.785 1.319 0.00 0.00 +0.059 A ATOM 24 N LIG 1 3.603 1.362 2.341 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 4.602 0.496 2.038 0.00 0.00 +0.124 A ATOM 26 C LIG 1 4.870 0.048 0.754 0.00 0.00 +0.055 A ATOM 27 C LIG 1 4.033 0.466 -0.279 0.00 0.00 +0.016 A ATOM 28 C LIG 1 2.994 1.350 0.005 0.00 0.00 +0.025 A BRANCH 26 29 ATOM 29 C LIG 1 5.979 -0.902 0.544 0.00 0.00 +0.249 C ATOM 30 N LIG 1 6.779 -0.753 -0.577 0.00 0.00 -0.287 N ATOM 31 C LIG 1 7.189 0.520 -1.171 0.00 0.00 +0.102 C ATOM 32 C LIG 1 8.317 1.113 -0.287 0.00 0.00 +0.182 C ATOM 33 O LIG 1 9.460 0.235 -0.226 0.00 0.00 -0.376 OA ATOM 34 C LIG 1 9.085 -1.119 0.117 0.00 0.00 +0.182 C ATOM 35 C LIG 1 7.751 0.056 -2.522 0.00 0.00 +0.027 C ATOM 36 C LIG 1 8.244 -1.380 -2.260 0.00 0.00 +0.027 C ATOM 37 C LIG 1 7.928 -1.628 -0.779 0.00 0.00 +0.102 C ATOM 38 O LIG 1 6.148 -1.797 1.369 0.00 0.00 -0.270 OA ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 8