REMARK Name = BDB009784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.553 2.534 1.352 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -1.576 2.015 -0.100 0.00 0.00 +0.055 C ATOM 3 C LIG 1 -0.109 1.798 -0.509 0.00 0.00 +0.223 C ATOM 4 O LIG 1 0.579 2.759 -0.857 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 0.452 0.540 -0.326 0.00 0.00 -0.285 N ATOM 6 C LIG 1 -0.360 -0.691 -0.395 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -1.756 -0.559 0.283 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -2.438 0.734 -0.188 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.532 -1.238 -1.822 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.524 -2.635 -2.010 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.697 -3.192 -3.279 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.886 -2.361 -4.378 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -1.098 -3.044 -5.942 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.903 -0.979 -4.218 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.729 -0.420 -2.947 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -1.843 -0.764 1.796 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -0.731 -0.764 2.650 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -0.882 -0.972 4.024 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 0.502 -0.955 5.047 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -2.141 -1.191 4.574 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.258 -1.203 3.744 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.108 -0.995 2.371 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 1.937 0.440 -0.413 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 C LIG 1 2.574 -0.323 0.759 0.00 0.00 +0.062 A ATOM 25 N LIG 1 2.433 -1.673 0.840 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 2.985 -2.307 1.899 0.00 0.00 +0.111 A ATOM 27 C LIG 1 3.670 -1.662 2.911 0.00 0.00 +0.020 A ATOM 28 C LIG 1 3.799 -0.282 2.835 0.00 0.00 +0.003 A ATOM 29 C LIG 1 3.246 0.397 1.752 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 2.417 0.067 -1.801 0.00 0.00 +0.016 C ATOM 31 C LIG 1 2.783 -1.322 -2.275 0.00 0.00 +0.006 C ATOM 32 C LIG 1 3.862 -0.296 -2.072 0.00 0.00 +0.006 C ENDBRANCH 23 30 ENDBRANCH 5 23 BRANCH 2 33 ATOM 33 C LIG 1 -2.261 3.060 -1.026 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -1.569 4.376 -1.272 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -1.188 4.785 -2.357 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.486 5.156 -0.182 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -0.994 5.941 -0.504 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8