REMARK Name = BDB011539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.614 0.541 -0.043 0.00 0.00 +0.204 C ATOM 2 C LIG 1 -2.725 -0.984 -0.285 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -3.879 -1.591 0.535 0.00 0.00 +0.078 C ATOM 4 C LIG 1 -4.028 -3.091 0.283 0.00 0.00 +0.164 C ATOM 5 O LIG 1 -3.687 -3.491 -1.043 0.00 0.00 -0.379 OA ATOM 6 C LIG 1 -3.912 -2.474 -2.006 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -2.954 -1.304 -1.790 0.00 0.00 +0.078 C ATOM 8 O LIG 1 -1.510 -1.697 0.060 0.00 0.00 -0.481 OA ATOM 9 C LIG 1 -0.810 -1.253 1.147 0.00 0.00 +0.143 A ATOM 10 C LIG 1 -0.069 -0.058 1.131 0.00 0.00 +0.079 A ATOM 11 C LIG 1 0.768 0.214 2.223 0.00 0.00 +0.027 A ATOM 12 C LIG 1 0.860 -0.675 3.298 0.00 0.00 +0.002 A ATOM 13 C LIG 1 0.131 -1.859 3.290 0.00 0.00 +0.004 A ATOM 14 N LIG 1 -0.136 0.841 0.021 0.00 0.00 -0.262 N ATOM 15 C LIG 1 -0.692 -2.155 2.207 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -1.318 1.074 -0.675 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -1.369 1.721 -1.728 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -4.777 1.769 0.152 0.00 0.00 +0.230 C ATOM 19 N LIG 1 -3.721 1.329 -0.610 0.00 0.00 -0.299 N ATOM 20 H LIG 1 -3.514 1.784 -1.495 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -4.953 1.372 1.304 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -5.773 2.714 -0.574 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -5.087 3.888 -1.274 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.447 4.173 1.302 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -6.851 3.141 0.353 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -7.117 2.313 0.896 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 14 27 ATOM 27 C LIG 1 1.086 1.509 -0.440 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 2.157 0.543 -0.909 0.00 0.00 -0.019 A ATOM 29 C LIG 1 3.457 0.492 -0.350 0.00 0.00 +0.025 A ATOM 30 C LIG 1 4.125 1.172 0.686 0.00 0.00 +0.143 A ATOM 31 N LIG 1 5.368 0.744 0.875 0.00 0.00 -0.174 NA ATOM 32 N LIG 1 5.554 -0.211 -0.067 0.00 0.00 -0.231 N ATOM 33 C LIG 1 4.399 -0.427 -0.822 0.00 0.00 +0.075 A ATOM 34 C LIG 1 4.069 -1.361 -1.820 0.00 0.00 +0.028 A ATOM 35 C LIG 1 2.793 -1.302 -2.383 0.00 0.00 +0.002 A ATOM 36 C LIG 1 1.863 -0.364 -1.949 0.00 0.00 +0.006 A BRANCH 32 37 ATOM 37 C LIG 1 6.847 -0.792 -0.218 0.00 0.00 +0.083 A ATOM 38 C LIG 1 7.711 -0.954 0.884 0.00 0.00 +0.077 A ATOM 39 C LIG 1 8.995 -1.489 0.676 0.00 0.00 +0.021 A ATOM 40 C LIG 1 9.421 -1.855 -0.601 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.570 -1.689 -1.688 0.00 0.00 +0.002 A ATOM 42 C LIG 1 7.292 -1.157 -1.502 0.00 0.00 +0.029 A BRANCH 38 43 ATOM 43 C LIG 1 7.336 -0.687 2.249 0.00 0.00 +0.101 C ATOM 44 N LIG 1 7.097 -0.535 3.375 0.00 0.00 -0.191 NA ENDBRANCH 38 43 ENDBRANCH 32 37 ENDBRANCH 27 28 ENDBRANCH 14 27 TORSDOF 7