REMARK Name = BDB013337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.020 0.416 0.433 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.851 -0.304 -0.529 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.247 -0.666 0.040 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.072 -1.259 1.436 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.397 -0.277 2.404 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.984 -1.095 3.651 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.132 0.341 1.809 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.669 0.885 2.579 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.014 0.478 -1.836 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.710 -0.136 -3.063 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.861 0.562 -4.263 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.317 1.878 -4.247 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -1.499 2.737 -5.726 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.625 2.502 -3.042 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.476 1.805 -1.841 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.035 -1.618 -0.855 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.590 -2.921 -1.133 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -3.332 -3.756 -1.971 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -2.767 -5.348 -2.303 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.521 -3.312 -2.542 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.973 -2.021 -2.275 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.236 -1.181 -1.439 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.358 0.856 -0.060 0.00 0.00 +0.143 C BRANCH 23 25 ATOM 24 C LIG 1 2.424 3.039 -0.823 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.641 2.331 0.279 0.00 0.00 +0.027 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.397 -0.209 0.378 0.00 0.00 +0.154 C ATOM 27 O LIG 1 2.150 -1.411 0.214 0.00 0.00 -0.295 OA BRANCH 26 28 ATOM 28 C LIG 1 3.693 0.249 1.032 0.00 0.00 +0.079 C BRANCH 28 29 ATOM 29 C LIG 1 4.717 -0.881 1.238 0.00 0.00 -0.010 C ATOM 30 C LIG 1 5.809 -0.427 2.209 0.00 0.00 +0.007 C ATOM 31 C LIG 1 5.352 -1.308 -0.087 0.00 0.00 +0.007 C ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 -2.348 0.849 2.880 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -2.281 2.156 2.127 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -3.117 2.502 1.305 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.218 2.926 2.441 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -0.546 2.491 3.012 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10