REMARK Name = BDB050730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.760 -0.501 -1.435 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -0.813 -1.396 -2.496 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.028 -1.237 -3.571 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.675 -2.480 -2.425 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -1.721 -3.368 -3.427 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.499 -2.669 -1.315 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.482 -1.751 -0.253 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.591 -0.667 -0.318 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 -0.427 1.760 -1.694 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.115 0.675 -1.503 0.00 0.00 +0.250 C ATOM 11 N LIG 1 1.478 0.507 -1.303 0.00 0.00 -0.294 N ATOM 12 C LIG 1 2.343 1.688 -1.294 0.00 0.00 +0.127 C ATOM 13 C LIG 1 3.385 1.648 -0.161 0.00 0.00 +0.124 C ATOM 14 N LIG 1 4.183 0.404 -0.181 0.00 0.00 -0.327 N ATOM 15 C LIG 1 3.662 -0.709 -0.991 0.00 0.00 +0.124 C ATOM 16 C LIG 1 2.123 -0.763 -0.943 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 5.485 0.408 0.299 0.00 0.00 +0.030 A ATOM 18 C LIG 1 5.887 1.298 1.311 0.00 0.00 +0.024 A ATOM 19 C LIG 1 7.195 1.311 1.815 0.00 0.00 +0.022 A ATOM 20 C LIG 1 8.135 0.423 1.312 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 9.742 0.432 1.923 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 7.776 -0.474 0.316 0.00 0.00 +0.022 A ATOM 23 C LIG 1 6.464 -0.479 -0.179 0.00 0.00 +0.024 A ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 24 ATOM 24 C LIG 1 -3.368 -1.975 0.953 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -4.012 -0.706 1.495 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -5.173 -0.100 0.794 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -5.707 1.065 1.340 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -6.800 1.701 0.738 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -7.361 1.165 -0.420 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.831 -0.001 -0.972 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.110 1.625 2.563 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -5.553 2.642 3.085 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -4.038 0.941 3.080 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -3.613 1.315 3.923 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -5.740 -0.636 -0.369 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -3.490 -0.196 2.573 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 4