REMARK Name = BDB063748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.420 0.410 0.296 0.00 0.00 +0.172 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.041 1.655 1.043 0.00 0.00 -0.020 A ATOM 3 C LIG 1 0.373 1.562 2.406 0.00 0.00 +0.006 A ATOM 4 C LIG 1 0.799 2.686 3.115 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.887 3.921 2.477 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.537 4.036 1.134 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.110 2.913 0.422 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 -0.532 0.768 -2.110 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 0.126 0.356 -1.148 0.00 0.00 +0.188 C BRANCH 9 10 ATOM 10 C LIG 1 1.491 -0.202 -1.400 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.428 -0.416 -0.381 0.00 0.00 +0.013 A ATOM 12 C LIG 1 3.691 -0.940 -0.685 0.00 0.00 +0.020 A ATOM 13 C LIG 1 4.021 -1.249 -2.003 0.00 0.00 +0.041 A ATOM 14 CL LIG 1 5.573 -1.893 -2.368 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 3.100 -1.036 -3.026 0.00 0.00 +0.020 A ATOM 16 C LIG 1 1.840 -0.511 -2.725 0.00 0.00 +0.013 A ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 17 ATOM 17 N LIG 1 -1.903 0.423 0.271 0.00 0.00 -0.330 N ATOM 18 H LIG 1 -2.195 0.980 -0.536 0.00 0.00 +0.147 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.472 -0.864 0.197 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.431 -1.725 1.299 0.00 0.00 +0.023 A ATOM 21 C LIG 1 -2.958 -3.015 1.216 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.527 -3.459 0.025 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.572 -2.612 -1.081 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -3.047 -1.321 -0.995 0.00 0.00 +0.023 A ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 5