REMARK Name = BDB009882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.338 -2.755 -0.225 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -1.988 -2.277 1.197 0.00 0.00 +0.055 C ATOM 3 C LIG 1 -0.492 -1.923 1.233 0.00 0.00 +0.223 C ATOM 4 O LIG 1 0.313 -2.744 1.678 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 -0.082 -0.705 0.678 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -1.096 0.264 0.187 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -2.390 0.292 1.064 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -2.817 -1.067 1.642 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.589 1.705 0.051 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.178 2.454 1.170 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.240 3.780 1.030 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.241 4.375 -0.229 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.758 6.006 -0.403 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.176 3.658 -1.347 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.594 2.333 -1.208 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -3.555 0.991 0.360 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.154 0.455 -0.791 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.199 1.131 -1.424 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.909 0.462 -2.842 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.665 2.343 -0.925 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.083 2.885 0.218 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.036 2.215 0.855 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 1.325 -0.706 0.157 0.00 0.00 +0.100 C BRANCH 23 24 ATOM 24 C LIG 1 1.318 -0.787 -1.361 0.00 0.00 +0.011 C ATOM 25 C LIG 1 0.846 -2.040 -2.062 0.00 0.00 +0.006 C ATOM 26 C LIG 1 2.301 -1.675 -2.088 0.00 0.00 +0.006 C ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 2.230 0.435 0.685 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 N LIG 1 3.644 0.157 0.558 0.00 0.00 -0.290 N ATOM 29 C LIG 1 4.486 0.585 -0.479 0.00 0.00 +0.070 A ATOM 30 C LIG 1 5.750 0.041 -0.243 0.00 0.00 +0.067 A ATOM 31 C LIG 1 6.820 0.263 -1.079 0.00 0.00 +0.028 A ATOM 32 C LIG 1 6.590 1.071 -2.196 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.315 1.626 -2.441 0.00 0.00 +0.002 A ATOM 34 N LIG 1 5.691 -0.711 0.923 0.00 0.00 -0.306 N ATOM 35 H LIG 1 6.438 -1.228 1.357 0.00 0.00 +0.170 HD ATOM 36 C LIG 1 4.242 1.385 -1.574 0.00 0.00 +0.028 A ATOM 37 C LIG 1 4.387 -0.654 1.438 0.00 0.00 +0.328 A ATOM 38 O LIG 1 3.998 -1.206 2.453 0.00 0.00 -0.247 OA ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 5 23 BRANCH 2 39 ATOM 39 C LIG 1 -2.192 -3.463 2.191 0.00 0.00 +0.136 C BRANCH 39 40 ATOM 40 C LIG 1 -3.602 -3.981 2.358 0.00 0.00 +0.306 C ATOM 41 O LIG 1 -4.591 -3.573 1.775 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 -3.665 -4.992 3.258 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 -2.800 -5.230 3.644 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 2 39 TORSDOF 9