REMARK Name = BDB000004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.454 0.518 0.469 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.046 0.337 -0.452 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.625 0.030 -0.552 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.784 0.051 0.590 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.304 -0.342 1.837 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -3.645 -0.754 1.930 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -4.482 -0.780 0.820 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.750 -1.241 1.259 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -5.674 -1.493 2.615 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -6.731 -1.996 3.533 0.00 0.00 +0.063 C ATOM 11 N LIG 1 -4.389 -1.192 3.012 0.00 0.00 -0.347 N ATOM 12 C LIG 1 -3.857 -1.307 4.354 0.00 0.00 +0.149 C ATOM 13 C LIG 1 -3.968 -0.386 -0.428 0.00 0.00 +0.020 A BRANCH 3 19 ATOM 14 C LIG 1 -0.050 -0.898 -4.740 0.00 0.00 +0.065 C ATOM 15 C LIG 1 -0.910 0.002 -3.906 0.00 0.00 +0.039 A ATOM 16 N LIG 1 -1.211 1.220 -4.412 0.00 0.00 -0.260 NA ATOM 17 C LIG 1 -1.971 2.036 -3.652 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -2.455 1.696 -2.401 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -2.144 0.438 -1.882 0.00 0.00 -0.013 A ATOM 20 C LIG 1 -1.360 -0.423 -2.659 0.00 0.00 +0.031 A ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 0.455 1.081 1.374 0.00 0.00 +0.044 A ATOM 22 C LIG 1 1.823 0.981 1.158 0.00 0.00 +0.071 A ATOM 23 C LIG 1 2.559 0.383 0.043 0.00 0.00 +0.256 C ATOM 24 N LIG 1 3.890 0.515 0.327 0.00 0.00 -0.222 N ATOM 25 C LIG 1 4.085 1.211 1.489 0.00 0.00 +0.255 C ATOM 26 O LIG 1 5.130 1.549 2.011 0.00 0.00 -0.270 OA ATOM 27 O LIG 1 2.030 -0.101 -0.941 0.00 0.00 -0.269 OA ATOM 28 C LIG 1 2.761 1.493 2.038 0.00 0.00 +0.051 A ATOM 29 C LIG 1 2.399 2.143 3.199 0.00 0.00 +0.014 A ATOM 30 C LIG 1 1.033 2.269 3.452 0.00 0.00 +0.003 A ATOM 31 C LIG 1 0.078 1.743 2.552 0.00 0.00 +0.024 A BRANCH 24 32 ATOM 32 C LIG 1 4.975 0.194 -0.588 0.00 0.00 +0.171 C ATOM 33 C LIG 1 5.026 1.250 -1.697 0.00 0.00 +0.240 C ATOM 34 O LIG 1 4.573 2.387 -1.579 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 5.686 0.877 -2.847 0.00 0.00 -0.255 N ATOM 36 H LIG 1 5.730 1.577 -3.576 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 6.173 -0.364 -3.174 0.00 0.00 +0.219 C ATOM 38 O LIG 1 6.693 -0.573 -4.266 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 6.091 -1.427 -2.103 0.00 0.00 +0.098 C ATOM 40 C LIG 1 4.891 -1.204 -1.195 0.00 0.00 +0.041 C ENDBRANCH 24 32 ENDBRANCH 1 21 TORSDOF 4