REMARK Name = BDB039478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.209 -2.567 1.018 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -3.350 -1.664 0.349 0.00 0.00 +0.111 A ATOM 3 C LIG 1 -3.971 -0.594 -0.337 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.134 0.307 -0.995 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.742 0.114 -0.982 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.203 -0.952 -0.284 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -5.313 -0.421 -0.380 0.00 0.00 -0.253 NA ATOM 8 C LIG 1 -6.093 -1.307 0.265 0.00 0.00 +0.113 A ATOM 9 N LIG 1 -2.000 -1.830 0.362 0.00 0.00 -0.243 NA ATOM 10 C LIG 1 -5.596 -2.380 0.965 0.00 0.00 +0.045 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.250 -1.212 -0.192 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.194 -0.161 -0.205 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.547 -0.457 -0.117 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.723 0.462 -0.088 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.849 -0.463 -0.059 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.437 -1.781 0.073 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.129 -2.769 0.226 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 2.973 -1.777 -0.009 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.095 -2.840 0.020 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.731 -2.545 -0.072 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.220 -0.052 0.217 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.402 0.448 1.660 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.565 0.324 2.551 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.598 1.081 1.915 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.700 1.422 2.861 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.370 1.732 0.987 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.186 2.583 1.327 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.172 1.333 -0.457 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.711 1.025 -0.746 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 31 ATOM 30 C LIG 1 -2.827 -3.361 2.828 0.00 0.00 +0.129 C ATOM 31 N LIG 1 -3.779 -3.708 1.766 0.00 0.00 -0.334 N ATOM 32 C LIG 1 -3.292 -4.763 0.870 0.00 0.00 +0.129 C ENDBRANCH 1 31 BRANCH 4 33 ATOM 33 C LIG 1 -3.708 1.473 -1.781 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -2.974 2.739 -1.552 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -3.421 3.783 -2.488 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -4.669 4.399 -1.874 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -4.561 4.108 -0.385 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -3.275 3.310 -0.226 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5