REMARK Name = BDB042026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.379 -1.647 -2.300 0.00 0.00 +0.029 C ATOM 2 C LIG 1 -3.034 -1.033 -1.870 0.00 0.00 +0.033 C ATOM 3 N LIG 1 -3.064 -0.329 -0.567 0.00 0.00 -0.283 NA ATOM 4 C LIG 1 -2.205 -0.894 0.469 0.00 0.00 +0.105 C ATOM 5 C LIG 1 -0.768 -1.094 -0.044 0.00 0.00 +0.123 C ATOM 6 N LIG 1 -0.702 -1.859 -1.291 0.00 0.00 -0.295 N ATOM 7 C LIG 1 0.436 -2.528 -1.730 0.00 0.00 +0.247 C ATOM 8 O LIG 1 0.422 -3.412 -2.582 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.987 -2.202 -1.900 0.00 0.00 +0.130 C ATOM 10 C LIG 1 -2.617 0.009 -2.932 0.00 0.00 +0.029 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.744 -2.163 -1.139 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.214 -0.843 -1.224 0.00 0.00 +0.019 A ATOM 13 C LIG 1 3.451 -0.561 -0.672 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.207 0.724 -0.629 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.381 0.380 0.163 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.454 -0.983 0.414 0.00 0.00 +0.248 C ATOM 17 O LIG 1 6.361 -1.612 0.921 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.200 -1.572 -0.070 0.00 0.00 +0.042 A ATOM 19 C LIG 1 3.771 -2.885 0.001 0.00 0.00 +0.014 A ATOM 20 C LIG 1 2.523 -3.182 -0.551 0.00 0.00 +0.014 A BRANCH 15 21 ATOM 21 C LIG 1 6.510 1.297 0.281 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.501 1.112 -0.878 0.00 0.00 +0.240 C ATOM 23 O LIG 1 7.165 0.760 -2.008 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.802 1.483 -0.625 0.00 0.00 -0.255 N ATOM 25 H LIG 1 9.445 1.394 -1.399 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.306 2.067 0.511 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.459 2.485 0.548 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.345 2.251 1.663 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.233 1.214 1.625 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 3 30 ATOM 30 C LIG 1 -4.242 0.455 -0.149 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -5.319 -0.364 0.580 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.595 -0.509 0.002 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.602 -1.235 0.644 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.359 -1.819 1.883 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.113 -1.669 2.485 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.106 -0.944 1.843 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -3.849 1.778 0.550 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -4.640 2.367 1.553 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.281 3.588 2.135 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.137 4.257 1.711 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -2.356 3.713 0.698 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -2.713 2.493 0.118 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 3 30 TORSDOF 5