REMARK Name = BDB026976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.294 -1.278 -0.055 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.918 -2.706 0.323 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.047 -2.952 1.312 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.400 -4.260 1.648 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.207 -5.336 1.004 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.167 -5.108 0.021 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.521 -3.802 -0.318 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.755 -1.081 0.142 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.013 -1.468 1.049 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.138 0.335 0.089 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -5.446 -0.145 -0.905 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -4.667 0.520 0.237 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -5.021 1.997 0.357 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -4.808 2.891 -0.705 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -5.131 4.244 -0.573 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -5.669 4.713 0.623 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -6.065 6.380 0.787 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -5.887 3.842 1.686 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -5.564 2.489 1.554 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.845 -0.977 -1.515 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -1.647 -0.936 -2.453 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.592 -0.808 -1.788 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.652 -0.231 -1.006 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.834 -0.387 -1.736 0.00 0.00 +0.048 A ATOM 25 C LIG 1 4.089 0.039 -1.271 0.00 0.00 +0.034 A ATOM 26 C LIG 1 4.162 0.670 -0.021 0.00 0.00 -0.013 A ATOM 27 C LIG 1 2.991 0.870 0.714 0.00 0.00 +0.009 A ATOM 28 N LIG 1 2.507 -0.989 -2.927 0.00 0.00 -0.360 N ATOM 29 H LIG 1 3.167 -1.210 -3.661 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 1.744 0.433 0.236 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.165 -1.224 -2.979 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 5.436 1.135 0.503 0.00 0.00 +0.020 A ATOM 33 C LIG 1 6.660 0.542 0.268 0.00 0.00 +0.116 A ATOM 34 N LIG 1 7.582 1.278 0.955 0.00 0.00 -0.274 N ATOM 35 C LIG 1 9.004 1.046 1.021 0.00 0.00 +0.172 C ATOM 36 N LIG 1 7.049 2.311 1.630 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 5.745 2.223 1.354 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8