REMARK Name = BDB007156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.707 -3.968 -1.733 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.709 -2.527 -1.354 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.384 -1.796 -0.794 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.046 -0.485 -0.581 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.800 0.490 -0.022 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.109 0.125 0.313 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.567 -1.175 0.091 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.366 -0.419 -0.998 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.708 -2.143 -0.447 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.773 -1.647 -1.484 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.145 -1.902 -2.011 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.956 -1.585 0.436 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.919 -0.604 0.342 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.690 0.271 -0.107 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.200 -2.743 0.754 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.324 -0.889 0.577 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.955 -1.600 -0.624 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 7.033 0.401 0.957 0.00 0.00 -0.027 A ATOM 19 C LIG 1 7.447 1.339 -0.004 0.00 0.00 +0.007 A ATOM 20 C LIG 1 8.071 2.529 0.384 0.00 0.00 +0.020 A ATOM 21 C LIG 1 8.277 2.796 1.735 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 9.041 4.263 2.210 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 7.861 1.887 2.703 0.00 0.00 +0.020 A ATOM 24 C LIG 1 7.238 0.698 2.315 0.00 0.00 +0.007 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 -2.184 0.795 -0.974 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.229 0.783 0.117 0.00 0.00 -0.024 A ATOM 27 C LIG 1 -4.578 1.037 -0.201 0.00 0.00 +0.051 A ATOM 28 C LIG 1 -5.557 1.051 0.795 0.00 0.00 +0.122 A ATOM 29 C LIG 1 -5.186 0.812 2.119 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.854 0.572 2.452 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.879 0.563 1.457 0.00 0.00 +0.005 A BRANCH 28 32 ATOM 32 O LIG 1 -6.894 1.264 0.617 0.00 0.00 -0.478 OA BRANCH 32 33 ATOM 33 C LIG 1 -7.375 1.681 -0.662 0.00 0.00 +0.278 C ATOM 34 C LIG 1 -7.710 0.456 -1.506 0.00 0.00 +0.064 C BRANCH 33 35 ATOM 35 C LIG 1 -8.642 2.507 -0.446 0.00 0.00 +0.346 C ATOM 36 O LIG 1 -9.199 2.769 0.607 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 -9.139 3.006 -1.601 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 -9.925 3.515 -1.308 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 9