REMARK Name = BDB007141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.541 -1.647 4.502 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.558 -1.488 3.020 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.429 -1.234 2.182 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.886 -1.149 0.866 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.013 -0.893 -0.207 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.350 -0.731 0.067 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.833 -0.828 1.373 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.258 -1.340 0.901 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.950 -1.065 2.436 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.674 -1.567 2.200 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.096 -1.820 2.570 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.279 -0.658 1.689 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.163 -1.042 0.706 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.829 -1.560 -0.094 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.627 -0.223 2.780 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.602 -0.976 0.899 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.094 -2.140 1.766 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.271 -0.887 -0.464 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.454 0.384 -1.047 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.031 0.562 -2.319 0.00 0.00 -0.044 A ATOM 21 C LIG 1 7.418 -0.603 -3.002 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.234 -1.874 -2.453 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.658 -2.016 -1.194 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 7.242 1.921 -2.964 0.00 0.00 +0.019 C ATOM 25 C LIG 1 6.247 3.040 -2.776 0.00 0.00 +0.009 C ATOM 26 C LIG 1 7.605 3.132 -2.140 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.126 -1.343 -0.277 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.941 -0.077 -0.409 0.00 0.00 -0.023 A ATOM 29 C LIG 1 -5.333 -0.152 -0.579 0.00 0.00 +0.051 A ATOM 30 C LIG 1 -6.115 1.002 -0.724 0.00 0.00 +0.123 A ATOM 31 C LIG 1 -5.497 2.250 -0.715 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -4.113 2.334 -0.559 0.00 0.00 +0.045 A ATOM 33 CL LIG 1 -3.352 3.879 -0.560 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -3.336 1.187 -0.409 0.00 0.00 +0.025 A BRANCH 30 35 ATOM 35 O LIG 1 -7.453 0.758 -0.870 0.00 0.00 -0.478 OA BRANCH 35 36 ATOM 36 C LIG 1 -8.357 1.870 -0.988 0.00 0.00 +0.278 C ATOM 37 C LIG 1 -8.457 2.312 -2.442 0.00 0.00 +0.064 C BRANCH 36 38 ATOM 38 C LIG 1 -9.733 1.391 -0.519 0.00 0.00 +0.346 C ATOM 39 O LIG 1 -10.752 2.066 -0.565 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 -9.723 0.127 -0.027 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 -8.814 -0.240 -0.093 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10