REMARK Name = BDB024770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.251 4.134 0.229 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.254 2.727 0.224 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.460 2.025 -0.265 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.431 1.884 -1.793 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.681 0.694 0.446 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.487 -0.213 0.255 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.209 0.498 0.594 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.065 -0.272 0.915 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.939 -1.638 0.980 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.695 -1.878 1.341 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.012 -0.698 1.462 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.862 0.342 1.229 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.732 1.727 1.259 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.865 2.486 0.926 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.104 1.916 0.583 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.355 4.870 0.624 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.470 6.084 -0.294 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.413 4.657 -0.276 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.423 -0.563 1.784 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.359 -0.944 0.623 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 2.270 -0.132 -0.601 0.00 0.00 -0.306 NA ATOM 22 H LIG 1 1.298 -0.103 -0.917 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 2.745 1.254 -0.440 0.00 0.00 +0.177 C BRANCH 23 24 ATOM 24 C LIG 1 4.189 1.331 0.068 0.00 0.00 +0.229 C ATOM 25 N LIG 1 5.200 1.153 -0.849 0.00 0.00 -0.300 N ATOM 26 C LIG 1 5.054 0.802 -2.253 0.00 0.00 +0.108 C ATOM 27 C LIG 1 6.456 0.398 -2.690 0.00 0.00 +0.020 C ATOM 28 C LIG 1 7.354 1.223 -1.776 0.00 0.00 +0.020 C ATOM 29 C LIG 1 6.596 1.208 -0.458 0.00 0.00 +0.108 C ATOM 30 O LIG 1 4.416 1.537 1.264 0.00 0.00 -0.274 OA ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -0.143 -3.246 1.573 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -0.180 -4.064 0.288 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 0.410 -5.374 0.477 0.00 0.00 -0.271 N ATOM 34 N LIG 1 1.744 -5.487 0.633 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 1.933 -6.802 0.777 0.00 0.00 +0.134 A ATOM 36 C LIG 1 0.728 -7.526 0.720 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -0.243 -6.572 0.526 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 9