REMARK Name = BDB034730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.656 -0.962 1.130 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.728 -1.093 0.908 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.522 0.029 1.048 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -2.905 0.194 0.874 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -3.231 1.546 1.103 0.00 0.00 +0.330 A ATOM 6 N LIG 1 -2.035 2.192 1.464 0.00 0.00 -0.295 N ATOM 7 C LIG 1 -1.889 3.590 1.742 0.00 0.00 +0.154 C ATOM 8 O LIG 1 -4.339 2.048 0.974 0.00 0.00 -0.246 OA ATOM 9 C LIG 1 -0.988 1.264 1.416 0.00 0.00 +0.070 A ATOM 10 C LIG 1 0.355 1.425 1.667 0.00 0.00 +0.030 A ATOM 11 C LIG 1 1.171 0.294 1.530 0.00 0.00 +0.025 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 1.472 -2.110 1.024 0.00 0.00 -0.298 N ATOM 13 H LIG 1 0.976 -2.920 0.664 0.00 0.00 +0.154 HD BRANCH 12 16 ATOM 14 C LIG 1 4.846 -1.216 0.010 0.00 0.00 +0.219 A ATOM 15 N LIG 1 3.540 -1.112 0.313 0.00 0.00 -0.198 NA ATOM 16 C LIG 1 2.852 -2.208 0.699 0.00 0.00 +0.147 A ATOM 17 C LIG 1 3.481 -3.440 0.808 0.00 0.00 +0.099 A ATOM 18 CL LIG 1 2.667 -4.880 1.279 0.00 0.00 -0.078 Cl ATOM 19 C LIG 1 4.816 -3.465 0.495 0.00 0.00 +0.137 A ATOM 20 N LIG 1 5.508 -2.381 0.097 0.00 0.00 -0.221 NA BRANCH 14 21 ATOM 21 N LIG 1 5.537 -0.082 -0.387 0.00 0.00 -0.303 N ATOM 22 C LIG 1 6.868 -0.287 -0.928 0.00 0.00 +0.132 C BRANCH 21 24 ATOM 23 C LIG 1 4.652 2.113 0.202 0.00 0.00 +0.024 C ATOM 24 C LIG 1 4.761 1.049 -0.880 0.00 0.00 +0.104 C ENDBRANCH 21 24 ENDBRANCH 14 21 ENDBRANCH 12 16 ENDBRANCH 1 12 BRANCH 4 25 ATOM 25 C LIG 1 -3.837 -0.829 0.471 0.00 0.00 +0.130 C BRANCH 25 26 ATOM 26 C LIG 1 -3.947 -1.019 -1.047 0.00 0.00 +0.056 C BRANCH 26 27 ATOM 27 C LIG 1 -4.850 -0.029 -1.819 0.00 0.00 +0.062 C ATOM 28 C LIG 1 -4.843 -0.413 -3.305 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -6.296 -0.016 -1.313 0.00 0.00 +0.041 C BRANCH 27 30 ATOM 30 O LIG 1 -4.319 1.291 -1.752 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 -4.580 1.687 -0.894 0.00 0.00 +0.210 HD ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 8