REMARK Name = BDB031226 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.279 -1.746 0.281 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.019 -2.352 0.312 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.896 -1.568 0.016 0.00 0.00 +0.091 A ATOM 4 N LIG 1 0.581 -1.927 0.047 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 -0.105 -0.865 -0.333 0.00 0.00 +0.147 A ATOM 6 N LIG 1 0.745 0.223 -0.571 0.00 0.00 -0.292 N ATOM 7 C LIG 1 2.045 -0.231 -0.346 0.00 0.00 +0.074 A ATOM 8 C LIG 1 3.309 0.389 -0.360 0.00 0.00 +0.029 A ATOM 9 C LIG 1 4.426 -0.398 -0.057 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.374 1.547 -0.960 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -0.778 2.146 -0.421 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -1.085 3.412 -0.864 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.303 4.087 -1.798 0.00 0.00 +0.067 A ATOM 14 N LIG 1 -0.884 5.328 -2.026 0.00 0.00 -0.306 N ATOM 15 H LIG 1 -0.568 6.049 -2.654 0.00 0.00 +0.170 HD ATOM 16 C LIG 1 -2.039 5.437 -1.238 0.00 0.00 +0.325 A ATOM 17 O LIG 1 -2.798 6.387 -1.188 0.00 0.00 -0.247 OA ATOM 18 C LIG 1 0.826 3.531 -2.345 0.00 0.00 +0.030 A ATOM 19 N LIG 1 -2.147 4.239 -0.517 0.00 0.00 -0.306 N ATOM 20 H LIG 1 -2.904 4.037 0.116 0.00 0.00 +0.170 HD ATOM 21 C LIG 1 1.164 2.240 -1.918 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 -1.565 -0.890 -0.493 0.00 0.00 +0.029 A ATOM 23 C LIG 1 -2.217 -0.667 -1.732 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -3.628 -0.644 -1.710 0.00 0.00 +0.072 A ATOM 25 C LIG 1 -4.316 -0.400 -2.890 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -3.657 -0.195 -4.103 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -2.272 -0.245 -4.147 0.00 0.00 +0.001 A ATOM 28 N LIG 1 -4.345 -0.852 -0.595 0.00 0.00 -0.245 NA ATOM 29 C LIG 1 -3.700 -1.125 0.556 0.00 0.00 +0.090 A ATOM 30 C LIG 1 -1.557 -0.484 -2.975 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -2.324 -1.165 0.650 0.00 0.00 +0.042 A BRANCH 29 32 ATOM 32 C LIG 1 -4.584 -1.394 1.680 0.00 0.00 +0.087 A ATOM 33 N LIG 1 -4.473 -0.914 2.967 0.00 0.00 -0.332 N ATOM 34 C LIG 1 -3.502 0.020 3.483 0.00 0.00 +0.150 C ATOM 35 C LIG 1 -5.509 -1.423 3.701 0.00 0.00 +0.199 A ATOM 36 N LIG 1 -6.299 -2.171 2.970 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 -5.750 -2.140 1.714 0.00 0.00 +0.140 A ENDBRANCH 29 32 ENDBRANCH 5 22 BRANCH 1 40 ATOM 38 C LIG 1 5.964 -1.297 2.685 0.00 0.00 +0.132 C ATOM 39 N LIG 1 6.329 -2.190 1.594 0.00 0.00 -0.304 N ATOM 40 C LIG 1 5.469 -2.575 0.567 0.00 0.00 +0.246 C ATOM 41 O LIG 1 5.650 -3.561 -0.143 0.00 0.00 -0.270 OA ATOM 42 C LIG 1 7.546 -2.959 1.784 0.00 0.00 +0.132 C ENDBRANCH 1 40 TORSDOF 4