REMARK Name = BDB008140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.535 -0.640 -0.713 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.792 -1.138 -1.339 0.00 0.00 +0.236 C ATOM 3 N LIG 1 0.736 -1.303 -0.464 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.032 -1.362 0.512 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.662 -0.672 -2.471 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA LIG 1 3.153 -1.621 -0.797 0.00 0.00 +0.184 C BRANCH 6 9 ATOM 7 C LIG 1 6.217 -1.742 -3.046 0.00 0.00 +0.109 C ATOM 8 C LIG 1 5.375 -1.997 -1.825 0.00 0.00 +0.211 C ATOM 9 N LIG 1 4.145 -1.395 -1.846 0.00 0.00 -0.302 N ATOM 10 H LIG 1 3.795 -0.981 -2.706 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 5.769 -2.688 -0.891 0.00 0.00 -0.276 OA ENDBRANCH 6 9 BRANCH 6 12 ATOM 12 C LIG 1 3.499 -0.880 0.503 0.00 0.00 +0.187 C BRANCH 12 13 ATOM 13 O LIG 1 2.622 -1.282 1.565 0.00 0.00 -0.393 OA ATOM 14 H LIG 1 2.939 -0.814 2.361 0.00 0.00 +0.209 HD ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 -0.485 0.807 -0.175 0.00 0.00 +0.234 C ATOM 16 N LIG 1 -1.500 1.623 -0.617 0.00 0.00 -0.303 N ATOM 17 H LIG 1 -2.143 1.291 -1.328 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 0.361 1.186 0.634 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 -1.581 3.040 -0.264 0.00 0.00 +0.156 C ATOM 20 C LIG 1 -0.540 3.860 -1.018 0.00 0.00 +0.038 C BRANCH 19 21 ATOM 21 C LIG 1 -2.998 3.579 -0.543 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -3.249 4.742 -0.842 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 -4.023 2.694 -0.335 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -3.913 1.972 0.389 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -4.942 3.115 -0.342 0.00 0.00 +0.145 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 26 ATOM 26 C LIG 1 -1.723 -1.433 -0.151 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 -1.595 -2.004 1.271 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 -1.351 -1.018 2.416 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 -2.274 0.102 2.416 0.00 0.00 -0.356 N ATOM 30 H LIG 1 -1.944 0.885 1.859 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.617 0.024 2.419 0.00 0.00 +0.188 C ATOM 32 N LIG 1 -4.316 0.861 1.737 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 -5.304 0.623 1.864 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 -4.150 -0.956 3.168 0.00 0.00 -0.370 N ATOM 35 H LIG 1 -3.602 -1.158 3.997 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 -5.128 -0.846 3.402 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 14