REMARK Name = BDB030792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.691 -0.260 -0.940 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -2.036 0.003 -0.631 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.739 -0.691 0.382 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -4.177 -0.419 0.674 0.00 0.00 +0.056 A ATOM 5 N LIG 1 -4.902 0.352 -0.245 0.00 0.00 -0.336 N ATOM 6 H LIG 1 -4.451 0.455 -1.144 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 -5.717 1.519 0.133 0.00 0.00 +0.111 C ATOM 8 C LIG 1 -6.912 1.090 1.009 0.00 0.00 +0.254 C ATOM 9 O LIG 1 -6.439 0.499 2.222 0.00 0.00 -0.459 OA ATOM 10 C LIG 1 -6.147 -0.814 2.028 0.00 0.00 +0.346 C ATOM 11 O LIG 1 -6.977 -1.709 2.067 0.00 0.00 -0.245 OA ATOM 12 C LIG 1 -4.709 -0.997 1.772 0.00 0.00 +0.145 A ATOM 13 C LIG 1 -3.951 -1.909 2.657 0.00 0.00 +0.267 A ATOM 14 N LIG 1 -2.675 -2.273 2.248 0.00 0.00 -0.310 N ATOM 15 C LIG 1 -1.945 -3.233 3.064 0.00 0.00 +0.152 C ATOM 16 O LIG 1 -4.455 -2.307 3.706 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 -2.040 -1.651 1.136 0.00 0.00 +0.054 A ATOM 18 C LIG 1 -0.711 -1.950 0.800 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -0.057 -1.277 -0.235 0.00 0.00 +0.025 A ENDROOT BRANCH 7 20 ATOM 20 C LIG 1 -6.217 2.285 -1.073 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -6.535 1.622 -2.393 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -5.369 2.571 -2.292 0.00 0.00 +0.006 C ENDBRANCH 7 20 BRANCH 1 23 ATOM 23 N LIG 1 -0.081 0.440 -1.999 0.00 0.00 -0.298 N ATOM 24 H LIG 1 -0.635 1.222 -2.336 0.00 0.00 +0.154 HD BRANCH 23 27 ATOM 25 C LIG 1 3.529 0.557 -1.602 0.00 0.00 +0.220 A ATOM 26 N LIG 1 2.229 0.336 -1.343 0.00 0.00 -0.198 NA ATOM 27 C LIG 1 1.296 0.689 -2.252 0.00 0.00 +0.147 A ATOM 28 C LIG 1 1.661 1.267 -3.459 0.00 0.00 +0.099 A ATOM 29 CL LIG 1 0.525 1.756 -4.655 0.00 0.00 -0.078 Cl ATOM 30 C LIG 1 3.005 1.454 -3.656 0.00 0.00 +0.137 A ATOM 31 N LIG 1 3.944 1.111 -2.753 0.00 0.00 -0.221 NA BRANCH 25 35 ATOM 32 C LIG 1 4.517 0.827 2.561 0.00 0.00 +0.009 C ATOM 33 C LIG 1 4.989 -0.342 1.693 0.00 0.00 +0.004 C ATOM 34 C LIG 1 4.045 -0.567 0.495 0.00 0.00 +0.111 C ATOM 35 N LIG 1 4.478 0.232 -0.642 0.00 0.00 -0.299 N ATOM 36 C LIG 1 5.833 0.022 -1.156 0.00 0.00 +0.111 C ATOM 37 C LIG 1 6.729 -0.688 -0.124 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.203 -0.546 -0.498 0.00 0.00 +0.009 C ATOM 39 C LIG 1 6.457 -0.134 1.276 0.00 0.00 +0.009 C ENDBRANCH 25 35 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 4