REMARK Name = BDB055105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.339 1.724 -1.357 0.00 0.00 +0.077 A ATOM 2 C LIG 1 0.963 1.948 -1.257 0.00 0.00 +0.108 A ATOM 3 C LIG 1 0.329 3.082 -1.732 0.00 0.00 +0.180 A ATOM 4 N LIG 1 -1.016 3.030 -1.504 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.239 1.883 -0.880 0.00 0.00 +0.141 A ATOM 6 N LIG 1 0.981 4.093 -2.343 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 2.317 3.897 -2.443 0.00 0.00 +0.135 A ATOM 8 N LIG 1 -0.052 1.203 -0.719 0.00 0.00 -0.335 N ATOM 9 H LIG 1 0.075 0.302 -0.285 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 3.024 2.780 -1.988 0.00 0.00 +0.082 A ATOM 11 CL LIG 1 4.735 2.762 -2.233 0.00 0.00 -0.080 Cl ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 4.960 -1.501 -0.258 0.00 0.00 -0.294 NA ATOM 13 C LIG 1 3.822 -1.714 -1.181 0.00 0.00 +0.103 C ATOM 14 C LIG 1 3.281 -0.440 -1.868 0.00 0.00 +0.120 C ATOM 15 N LIG 1 2.862 0.542 -0.851 0.00 0.00 -0.325 N ATOM 16 C LIG 1 3.764 0.667 0.315 0.00 0.00 +0.120 C ATOM 17 C LIG 1 5.106 -0.077 0.111 0.00 0.00 +0.103 C BRANCH 12 18 ATOM 18 C LIG 1 6.206 -2.076 -0.800 0.00 0.00 +0.143 C BRANCH 18 23 ATOM 19 C LIG 1 10.332 -1.238 2.110 0.00 0.00 +0.089 C ATOM 20 C LIG 1 9.109 -1.671 1.412 0.00 0.00 +0.135 A ATOM 21 O LIG 1 8.517 -2.802 1.879 0.00 0.00 -0.360 OA ATOM 22 N LIG 1 7.391 -3.079 1.125 0.00 0.00 -0.082 NA ATOM 23 C LIG 1 7.309 -2.098 0.214 0.00 0.00 +0.098 A ATOM 24 C LIG 1 8.386 -1.187 0.351 0.00 0.00 +0.072 A ENDBRANCH 18 23 ENDBRANCH 12 18 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 C LIG 1 -2.545 1.389 -0.432 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -2.697 0.243 0.353 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -3.972 -0.190 0.755 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -5.143 0.496 0.402 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -4.970 1.643 -0.386 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -3.702 2.084 -0.793 0.00 0.00 +0.013 A BRANCH 28 31 ATOM 31 N LIG 1 -6.400 0.067 0.796 0.00 0.00 -0.327 N ATOM 32 C LIG 1 -6.635 -1.283 1.329 0.00 0.00 +0.123 C ATOM 33 C LIG 1 -8.117 -1.733 1.166 0.00 0.00 +0.068 C ATOM 34 C LIG 1 -8.431 -2.074 -0.295 0.00 0.00 +0.025 C ATOM 35 N LIG 1 -9.143 -0.781 1.642 0.00 0.00 -0.311 NA ATOM 36 H LIG 1 -9.572 -1.135 2.496 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -8.575 0.548 1.915 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -7.522 1.017 0.888 0.00 0.00 +0.120 C ENDBRANCH 28 31 ENDBRANCH 5 25 TORSDOF 5