REMARK Name = BDB036144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.859 1.097 0.579 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -2.746 1.055 -0.270 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -2.490 2.087 -1.105 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -3.342 3.121 -1.033 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -4.380 3.231 -0.181 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -4.637 2.201 0.653 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.846 -0.046 -0.255 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -1.009 -0.325 0.888 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.229 -0.054 0.015 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.299 -1.146 0.094 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.420 -0.840 -0.903 0.00 0.00 +0.085 C ATOM 12 N LIG 1 3.025 0.489 -0.730 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.992 1.539 -0.783 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.851 1.333 0.217 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -0.744 -0.182 -1.177 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.879 0.618 0.461 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 5.177 -0.222 0.409 0.00 0.00 +0.003 C ATOM 18 C LIG 1 6.025 0.103 -0.831 0.00 0.00 +0.005 C ATOM 19 C LIG 1 7.354 -0.656 -0.837 0.00 0.00 +0.009 C ATOM 20 C LIG 1 8.175 -0.470 0.460 0.00 0.00 -0.005 C ATOM 21 C LIG 1 9.424 -1.363 0.434 0.00 0.00 +0.114 C ATOM 22 N LIG 1 10.411 -0.559 -0.238 0.00 0.00 -0.304 N ATOM 23 C LIG 1 11.718 -1.078 -0.564 0.00 0.00 +0.132 C ATOM 24 C LIG 1 10.152 0.795 -0.100 0.00 0.00 +0.216 C ATOM 25 O LIG 1 10.897 1.717 -0.390 0.00 0.00 -0.276 OA ATOM 26 C LIG 1 8.793 0.946 0.543 0.00 0.00 +0.104 C ATOM 27 C LIG 1 7.297 -0.792 1.680 0.00 0.00 +0.009 C ATOM 28 C LIG 1 5.995 0.006 1.691 0.00 0.00 +0.005 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 29 ATOM 29 O LIG 1 -4.213 0.090 1.446 0.00 0.00 -0.434 OA BRANCH 29 31 ATOM 30 C LIG 1 -5.354 -1.392 -0.186 0.00 0.00 +0.082 A ATOM 31 C LIG 1 -4.511 -1.144 0.909 0.00 0.00 +0.143 A ATOM 32 C LIG 1 -3.953 -2.231 1.599 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -4.153 -3.535 1.145 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -4.917 -3.754 0.006 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -5.092 -5.005 -0.439 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.514 -2.698 -0.668 0.00 0.00 +0.055 A BRANCH 30 38 ATOM 37 N LIG 1 -7.195 0.276 -0.505 0.00 0.00 -0.292 N ATOM 38 C LIG 1 -6.014 -0.330 -0.956 0.00 0.00 +0.251 C ATOM 39 O LIG 1 -5.456 -0.040 -2.015 0.00 0.00 -0.270 OA BRANCH 37 41 ATOM 40 C LIG 1 -8.768 0.962 -2.301 0.00 0.00 +0.028 C ATOM 41 C LIG 1 -7.678 1.413 -1.328 0.00 0.00 +0.070 C ATOM 42 C LIG 1 -8.132 2.623 -0.504 0.00 0.00 +0.028 C ENDBRANCH 37 41 BRANCH 37 43 ATOM 43 C LIG 1 -8.086 -0.211 0.580 0.00 0.00 +0.070 C ATOM 44 C LIG 1 -8.570 -1.649 0.388 0.00 0.00 +0.028 C ATOM 45 C LIG 1 -7.533 0.021 1.983 0.00 0.00 +0.028 C ENDBRANCH 37 43 ENDBRANCH 30 38 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 8