REMARK Name = BDB011059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.945 -1.015 -0.388 0.00 0.00 +0.149 A ATOM 2 N LIG 1 -0.344 0.228 -0.611 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -1.266 1.208 -0.265 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.291 0.507 0.342 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -3.371 1.062 0.911 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -3.370 2.394 0.844 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.441 3.175 0.256 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.371 2.595 -0.336 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.083 -0.827 0.271 0.00 0.00 -0.209 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.510 3.096 1.469 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -5.453 2.305 2.045 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -6.367 3.185 2.532 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -7.388 2.899 3.130 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -5.907 4.433 2.216 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -6.370 5.303 2.443 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -4.729 4.378 1.542 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.460 3.503 -1.010 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.278 4.459 -0.299 0.00 0.00 +0.033 A ATOM 19 C LIG 1 1.144 5.311 -0.977 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 2.077 6.468 -0.120 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 1.246 5.192 -2.354 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.540 4.295 -3.084 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -0.307 3.491 -2.398 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.393 -2.435 -0.700 0.00 0.00 +0.152 C ATOM 25 C LIG 1 0.438 -2.479 -1.998 0.00 0.00 +0.055 C BRANCH 24 27 ATOM 26 C LIG 1 -1.248 -4.900 -0.711 0.00 0.00 +0.126 A ATOM 27 C LIG 1 -1.496 -3.520 -0.918 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -2.762 -3.157 -1.430 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -3.760 -4.105 -1.664 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.510 -5.447 -1.420 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.257 -5.844 -0.956 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 32 C LIG 1 0.209 -6.558 0.206 0.00 0.00 +0.277 C ATOM 33 O LIG 1 0.019 -5.254 -0.327 0.00 0.00 -0.495 OA ENDBRANCH 26 33 ENDBRANCH 24 27 BRANCH 24 34 ATOM 34 O LIG 1 0.519 -2.747 0.374 0.00 0.00 -0.364 OA ATOM 35 C LIG 1 -0.050 -2.792 1.680 0.00 0.00 +0.195 C ENDBRANCH 24 34 ENDBRANCH 1 24 BRANCH 2 36 ATOM 36 C LIG 1 1.018 0.488 -1.054 0.00 0.00 +0.127 C BRANCH 36 37 ATOM 37 C LIG 1 2.129 0.159 -0.037 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.100 1.075 1.206 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.085 2.236 1.096 0.00 0.00 +0.003 C ATOM 40 C LIG 1 4.539 1.754 0.948 0.00 0.00 -0.014 C ATOM 41 C LIG 1 5.253 1.703 2.300 0.00 0.00 +0.007 C ATOM 42 C LIG 1 4.637 0.390 0.244 0.00 0.00 +0.003 C ATOM 43 C LIG 1 3.497 0.196 -0.749 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 8