REMARK Name = BDB064565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.228 -0.247 -0.338 0.00 0.00 -0.011 A ATOM 2 C LIG 1 3.377 -1.322 -0.632 0.00 0.00 +0.038 A ATOM 3 C LIG 1 1.994 -1.098 -0.694 0.00 0.00 +0.090 A ATOM 4 N LIG 1 0.992 -1.983 -0.943 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 -0.150 -1.316 -0.862 0.00 0.00 +0.132 A ATOM 6 N LIG 1 0.099 0.031 -0.627 0.00 0.00 -0.323 N ATOM 7 C LIG 1 1.480 0.170 -0.474 0.00 0.00 +0.069 A ATOM 8 C LIG 1 2.311 1.260 -0.170 0.00 0.00 +0.028 A ATOM 9 C LIG 1 3.691 1.025 -0.107 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 6.313 0.329 2.151 0.00 0.00 +0.070 C ATOM 11 C LIG 1 6.579 -0.203 0.794 0.00 0.00 +0.088 A ATOM 12 C LIG 1 5.658 -0.452 -0.259 0.00 0.00 +0.047 A ATOM 13 C LIG 1 6.444 -0.943 -1.279 0.00 0.00 +0.142 A ATOM 14 C LIG 1 6.194 -1.398 -2.660 0.00 0.00 +0.090 C ATOM 15 O LIG 1 7.738 -0.990 -0.863 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 7.828 -0.522 0.434 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 5 17 ATOM 17 C LIG 1 -1.460 -2.072 -1.032 0.00 0.00 +0.147 C ATOM 18 N LIG 1 -2.481 -1.807 0.010 0.00 0.00 -0.261 N ATOM 19 C LIG 1 -3.853 -1.878 -0.315 0.00 0.00 +0.220 C ATOM 20 O LIG 1 -4.773 -1.888 0.506 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.240 -1.880 -1.782 0.00 0.00 +0.096 C ATOM 22 C LIG 1 -3.267 -2.631 -2.658 0.00 0.00 +0.011 C ATOM 23 C LIG 1 -1.908 -1.992 -2.497 0.00 0.00 +0.031 C BRANCH 18 24 ATOM 24 C LIG 1 -2.100 -1.965 1.412 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -2.883 -1.415 2.443 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -2.508 -1.535 3.782 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -3.270 -0.970 4.728 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -1.350 -2.207 4.132 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -0.986 -2.312 5.416 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -0.555 -2.768 3.146 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -0.929 -2.647 1.800 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 5 17 BRANCH 6 32 ATOM 32 C LIG 1 -0.783 1.190 -0.505 0.00 0.00 +0.091 C ATOM 33 C LIG 1 -1.178 1.494 0.948 0.00 0.00 +0.040 C ATOM 34 C LIG 1 -2.624 1.976 1.063 0.00 0.00 +0.087 C ATOM 35 N LIG 1 -2.983 3.025 0.098 0.00 0.00 -0.292 NA ATOM 36 C LIG 1 -2.654 2.656 -1.298 0.00 0.00 +0.087 C ATOM 37 C LIG 1 -1.968 1.294 -1.462 0.00 0.00 +0.040 C BRANCH 35 38 ATOM 38 C LIG 1 -2.372 4.333 0.475 0.00 0.00 +0.205 C BRANCH 38 39 ATOM 39 C LIG 1 -3.154 5.478 -0.167 0.00 0.00 +0.319 C ATOM 40 O LIG 1 -2.709 6.599 -0.358 0.00 0.00 -0.250 OA BRANCH 39 41 ATOM 41 O LIG 1 -4.429 5.121 -0.466 0.00 0.00 -0.480 OA ATOM 42 H LIG 1 -4.525 4.168 -0.230 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 6 32 TORSDOF 7