REMARK Name = BDB030537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.184 1.343 0.228 0.00 0.00 +0.159 A ATOM 2 C LIG 1 0.746 0.421 0.711 0.00 0.00 +0.203 A ATOM 3 F LIG 1 0.296 -0.737 1.223 0.00 0.00 -0.198 F ATOM 4 C LIG 1 2.098 0.759 0.691 0.00 0.00 +0.163 A ATOM 5 N LIG 1 2.470 1.964 0.199 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 1.510 2.780 -0.259 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.197 2.530 -0.270 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.551 0.981 0.206 0.00 0.00 -0.325 N ATOM 9 H LIG 1 -1.773 0.511 1.083 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.474 2.058 -0.162 0.00 0.00 +0.124 C BRANCH 10 11 ATOM 11 C LIG 1 -3.950 1.586 -0.241 0.00 0.00 +0.075 C ATOM 12 C LIG 1 -4.112 0.402 -1.216 0.00 0.00 +0.038 C ATOM 13 C LIG 1 -5.531 -0.175 -1.203 0.00 0.00 +0.086 C ATOM 14 N LIG 1 -5.933 -0.555 0.156 0.00 0.00 -0.294 NA ATOM 15 C LIG 1 -5.897 0.589 1.073 0.00 0.00 +0.086 C ATOM 16 C LIG 1 -4.487 1.184 1.148 0.00 0.00 +0.038 C BRANCH 11 18 ATOM 17 N LIG 1 -5.366 3.636 -1.131 0.00 0.00 -0.196 NA ATOM 18 C LIG 1 -4.735 2.742 -0.744 0.00 0.00 +0.071 C ENDBRANCH 11 18 BRANCH 14 19 ATOM 19 C LIG 1 -7.278 -1.175 0.183 0.00 0.00 +0.180 C BRANCH 19 20 ATOM 20 C LIG 1 -7.280 -2.544 -0.503 0.00 0.00 +0.225 C ATOM 21 O LIG 1 -6.752 -3.550 -0.042 0.00 0.00 -0.275 OA ATOM 22 N LIG 1 -7.931 -2.596 -1.706 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -8.115 -1.759 -2.241 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -7.846 -3.468 -2.213 0.00 0.00 +0.145 HD ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 25 ATOM 25 N LIG 1 3.114 -0.121 1.135 0.00 0.00 -0.305 N BRANCH 25 26 ATOM 26 C LIG 1 2.808 -1.432 1.732 0.00 0.00 +0.075 C ATOM 27 C LIG 1 3.715 -2.624 1.563 0.00 0.00 +0.024 C ATOM 28 C LIG 1 2.389 -2.597 0.873 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 4.389 0.505 1.514 0.00 0.00 +0.142 C BRANCH 29 30 ATOM 30 C LIG 1 5.517 0.129 0.571 0.00 0.00 -0.030 A ATOM 31 C LIG 1 5.383 0.277 -0.817 0.00 0.00 +0.006 A ATOM 32 C LIG 1 6.435 -0.049 -1.676 0.00 0.00 +0.013 A ATOM 33 C LIG 1 7.650 -0.527 -1.166 0.00 0.00 +0.055 A ATOM 34 C LIG 1 7.795 -0.654 0.223 0.00 0.00 +0.013 A ATOM 35 C LIG 1 6.741 -0.328 1.081 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 8.795 -0.858 -2.090 0.00 0.00 +0.417 C ATOM 37 F LIG 1 8.390 -1.260 -3.327 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.620 0.207 -2.295 0.00 0.00 -0.166 F ATOM 39 F LIG 1 9.590 -1.859 -1.618 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 4 25 TORSDOF 11