REMARK Name = BDB028396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.430 1.963 1.468 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -1.253 1.172 0.651 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -2.253 0.368 1.212 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -2.467 0.409 2.588 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -3.573 -0.370 3.165 0.00 0.00 +0.272 A ATOM 6 N LIG 1 -4.341 -1.079 2.274 0.00 0.00 -0.242 N ATOM 7 H LIG 1 -5.109 -1.620 2.660 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 -4.125 -1.186 0.936 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 -3.800 -0.367 4.369 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -1.662 1.204 3.412 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -3.123 -0.537 0.414 0.00 0.00 +0.091 A ATOM 12 C LIG 1 -0.640 1.972 2.852 0.00 0.00 +0.009 A ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 3.603 3.454 -1.049 0.00 0.00 +0.173 C ATOM 14 N LIG 1 2.416 3.401 -0.226 0.00 0.00 -0.266 N ATOM 15 C LIG 1 1.604 2.311 0.006 0.00 0.00 +0.078 A ATOM 16 C LIG 1 0.636 2.765 0.894 0.00 0.00 +0.027 A ATOM 17 C LIG 1 0.957 4.122 1.114 0.00 0.00 +0.143 A ATOM 18 N LIG 1 2.022 4.516 0.416 0.00 0.00 -0.179 NA BRANCH 15 19 ATOM 19 C LIG 1 1.822 0.985 -0.584 0.00 0.00 +0.019 A ATOM 20 C LIG 1 2.281 -0.115 0.172 0.00 0.00 +0.069 A ATOM 21 C LIG 1 2.424 -1.399 -0.427 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.098 -1.547 -1.798 0.00 0.00 -0.017 A ATOM 23 C LIG 1 2.220 -2.800 -2.420 0.00 0.00 +0.008 A ATOM 24 C LIG 1 2.661 -3.915 -1.709 0.00 0.00 +0.001 A ATOM 25 C LIG 1 2.988 -3.790 -0.366 0.00 0.00 +0.001 A ATOM 26 C LIG 1 1.651 -0.443 -2.534 0.00 0.00 +0.009 A ATOM 27 C LIG 1 2.872 -2.551 0.267 0.00 0.00 +0.010 A ATOM 28 C LIG 1 1.513 0.808 -1.937 0.00 0.00 +0.012 A BRANCH 20 29 ATOM 29 C LIG 1 2.612 0.067 1.561 0.00 0.00 +0.100 C ATOM 30 N LIG 1 2.887 0.194 2.682 0.00 0.00 -0.191 NA ENDBRANCH 20 29 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 11 31 ATOM 31 C LIG 1 -2.870 -0.703 -1.090 0.00 0.00 +0.169 C BRANCH 31 32 ATOM 32 C LIG 1 -3.250 -2.121 -1.550 0.00 0.00 +0.364 C ATOM 33 F LIG 1 -3.188 -2.168 -2.913 0.00 0.00 -0.207 F ATOM 34 F LIG 1 -2.323 -3.010 -1.105 0.00 0.00 -0.207 F ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 N LIG 1 -3.593 0.392 -1.790 0.00 0.00 -0.318 NA ATOM 36 H LIG 1 -4.588 0.320 -1.563 0.00 0.00 +0.119 HD ATOM 37 H LIG 1 -3.541 0.208 -2.796 0.00 0.00 +0.119 HD ENDBRANCH 31 35 ENDBRANCH 11 31 TORSDOF 6