REMARK Name = BDB061814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.168 -1.084 -0.342 0.00 0.00 +0.076 A ATOM 2 C LIG 1 1.120 -0.410 -1.143 0.00 0.00 +0.141 A ATOM 3 C LIG 1 2.486 -0.683 -1.002 0.00 0.00 +0.051 A ATOM 4 C LIG 1 2.936 -1.622 -0.061 0.00 0.00 -0.035 A ATOM 5 C LIG 1 1.993 -2.306 0.711 0.00 0.00 +0.006 A ATOM 6 C LIG 1 0.628 -2.031 0.577 0.00 0.00 +0.027 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -1.189 -0.766 -0.512 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -1.365 -0.086 -1.241 0.00 0.00 +0.155 HD BRANCH 7 15 ATOM 9 C LIG 1 -7.109 -0.526 0.178 0.00 0.00 +0.161 C ATOM 10 N LIG 1 -5.830 -0.415 -0.539 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -4.699 -1.003 0.025 0.00 0.00 +0.149 A ATOM 12 C LIG 1 -4.816 -1.948 1.040 0.00 0.00 +0.095 A ATOM 13 C LIG 1 -3.618 -2.463 1.498 0.00 0.00 +0.141 A ATOM 14 N LIG 1 -2.406 -2.107 1.032 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 -2.378 -1.202 0.051 0.00 0.00 +0.221 A ATOM 16 N LIG 1 -6.084 -2.368 1.530 0.00 0.00 -0.269 N ATOM 17 C LIG 1 -6.171 -3.470 2.474 0.00 0.00 +0.138 C ATOM 18 N LIG 1 -3.488 -0.648 -0.460 0.00 0.00 -0.197 NA ATOM 19 C LIG 1 -7.251 -1.773 1.070 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -8.372 -2.164 1.410 0.00 0.00 -0.273 OA BRANCH 10 21 ATOM 21 C LIG 1 -5.643 0.422 -1.730 0.00 0.00 +0.076 C ATOM 22 C LIG 1 -5.079 1.820 -1.426 0.00 0.00 +0.022 C ATOM 23 C LIG 1 -5.750 2.776 -2.416 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -6.489 1.886 -3.406 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -6.904 0.698 -2.553 0.00 0.00 +0.022 C ENDBRANCH 10 21 BRANCH 9 27 ATOM 26 C LIG 1 -6.493 1.031 2.155 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -7.441 0.735 0.998 0.00 0.00 +0.028 C ENDBRANCH 9 27 ENDBRANCH 7 15 ENDBRANCH 1 7 BRANCH 2 28 ATOM 28 O LIG 1 0.591 0.504 -2.028 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 1.489 1.110 -2.949 0.00 0.00 +0.277 C ENDBRANCH 2 28 BRANCH 4 30 ATOM 30 C LIG 1 4.414 -1.918 0.060 0.00 0.00 +0.131 C BRANCH 30 31 ATOM 31 C LIG 1 4.913 -2.058 1.488 0.00 0.00 +0.218 C ATOM 32 N LIG 1 5.080 -0.950 2.267 0.00 0.00 -0.308 N ATOM 33 H LIG 1 5.493 -1.162 3.166 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 5.162 -3.161 1.978 0.00 0.00 -0.275 OA BRANCH 32 35 ATOM 35 C LIG 1 4.957 0.437 1.879 0.00 0.00 +0.178 C BRANCH 35 36 ATOM 36 C LIG 1 6.266 0.928 1.360 0.00 0.00 +0.125 A ATOM 37 N LIG 1 6.822 2.112 1.782 0.00 0.00 -0.341 N ATOM 38 H LIG 1 6.431 2.740 2.469 0.00 0.00 +0.167 HD ATOM 39 C LIG 1 7.999 2.307 1.104 0.00 0.00 +0.067 A ATOM 40 C LIG 1 8.119 1.192 0.278 0.00 0.00 +0.101 A ATOM 41 C LIG 1 9.246 1.081 -0.561 0.00 0.00 +0.064 A ATOM 42 C LIG 1 10.205 2.111 -0.533 0.00 0.00 +0.015 A ATOM 43 C LIG 1 10.051 3.217 0.307 0.00 0.00 +0.003 A ATOM 44 C LIG 1 8.940 3.339 1.148 0.00 0.00 +0.028 A ATOM 45 N LIG 1 7.032 0.354 0.451 0.00 0.00 -0.230 NA BRANCH 41 46 ATOM 46 C LIG 1 9.451 -0.078 -1.461 0.00 0.00 +0.244 C ATOM 47 O LIG 1 10.414 -0.140 -2.216 0.00 0.00 -0.270 OA ATOM 48 N LIG 1 8.529 -1.083 -1.412 0.00 0.00 -0.325 N ATOM 49 H LIG 1 8.682 -1.913 -1.966 0.00 0.00 +0.145 HD ATOM 50 H LIG 1 7.763 -1.059 -0.743 0.00 0.00 +0.145 HD ENDBRANCH 41 46 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 10