REMARK Name = BDB027098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.409 -0.505 -0.514 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.992 -1.924 -0.152 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.850 -2.356 1.177 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.470 -3.669 1.462 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.241 -4.573 0.428 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.402 -4.170 -0.895 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.781 -2.858 -1.183 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.033 0.598 0.511 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.906 1.354 0.955 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.346 -0.096 -0.183 0.00 0.00 +0.039 A ATOM 11 C LIG 1 3.997 0.604 0.978 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.634 0.829 1.215 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.618 0.371 0.365 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.364 0.789 0.938 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.681 1.499 2.087 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.013 -0.342 -0.791 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.033 1.497 2.254 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.527 1.933 3.021 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.370 -0.581 -1.048 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 C LIG 1 6.321 2.063 -0.719 0.00 0.00 +0.132 C ATOM 21 N LIG 1 6.682 0.667 -0.510 0.00 0.00 -0.304 N ATOM 22 C LIG 1 5.769 -0.387 -0.478 0.00 0.00 +0.246 C ATOM 23 O LIG 1 6.081 -1.560 -0.665 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 8.089 0.344 -0.663 0.00 0.00 +0.132 C ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.852 -0.406 -0.906 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.058 0.597 -0.947 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.773 -0.998 0.081 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.242 -0.665 -0.240 0.00 0.00 +0.051 C BRANCH 28 29 ATOM 29 C LIG 1 -5.590 0.800 -0.079 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -5.821 1.397 1.173 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 -5.777 0.485 2.641 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 -6.111 2.760 1.272 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -6.175 3.538 0.120 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 -6.532 5.217 0.240 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -5.954 2.968 -1.131 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.664 1.606 -1.230 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8