REMARK Name = BDB035821 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.184 -0.378 -1.597 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.977 -0.377 -0.445 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.683 -0.432 0.734 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.375 -0.294 -0.885 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.522 -0.251 -0.113 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.754 -0.167 -0.774 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.786 -0.120 -2.189 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.609 -0.167 -2.961 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.401 -0.255 -2.274 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.004 -0.317 -2.801 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.440 -0.535 -0.505 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.024 -0.468 -0.489 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.236 -0.441 -1.651 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.900 -0.477 -2.883 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.291 -0.548 -2.946 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.045 -0.579 -1.774 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.488 -1.812 2.176 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.758 -1.079 0.843 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.280 -0.563 0.865 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -3.990 -1.786 1.805 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.170 0.836 1.620 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.419 2.086 1.122 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.837 2.449 -0.204 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.211 2.951 2.152 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -3.872 2.281 3.227 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -3.846 0.948 2.893 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -5.811 -3.821 3.489 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.100 -3.114 2.290 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.643 -0.109 -4.463 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.022 1.002 -4.948 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.999 -1.166 -5.032 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.896 -0.104 -4.991 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.043 -0.097 0.014 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.607 1.251 -0.044 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.916 1.908 0.318 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.870 1.357 0.691 0.00 0.00 +0.054 C ATOM 37 C LIG 1 7.863 1.677 2.159 0.00 0.00 +0.020 C ATOM 38 C LIG 1 8.322 2.708 1.169 0.00 0.00 +0.020 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8