REMARK Name = BDB048345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.748 -2.234 2.086 0.00 0.00 -0.318 N ATOM 2 C LIG 1 -2.421 -1.565 3.199 0.00 0.00 +0.130 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -4.043 -1.235 -0.495 0.00 0.00 +0.162 A ATOM 4 N LIG 1 -3.307 -1.206 0.632 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -2.540 -2.276 0.922 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.523 -3.402 0.107 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -3.321 -3.332 -1.020 0.00 0.00 +0.120 A ATOM 8 N LIG 1 -4.076 -2.271 -1.350 0.00 0.00 -0.235 NA BRANCH 3 12 ATOM 9 C LIG 1 -6.467 2.231 -1.406 0.00 0.00 -0.048 A ATOM 10 C LIG 1 -6.460 1.124 -2.259 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -5.676 0.003 -1.961 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.869 -0.050 -0.809 0.00 0.00 +0.019 A ATOM 13 C LIG 1 -4.883 1.080 0.031 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -5.667 2.203 -0.260 0.00 0.00 +0.004 A BRANCH 9 16 ATOM 15 C LIG 1 -6.538 4.431 -2.604 0.00 0.00 +0.009 C ATOM 16 C LIG 1 -7.298 3.444 -1.732 0.00 0.00 +0.032 C ENDBRANCH 9 16 ENDBRANCH 3 12 BRANCH 6 17 ATOM 17 C LIG 1 -1.788 -4.672 0.429 0.00 0.00 +0.037 C ATOM 18 C LIG 1 -2.578 -5.560 1.379 0.00 0.00 +0.009 C ENDBRANCH 6 17 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -0.361 -1.794 1.820 0.00 0.00 +0.109 C BRANCH 19 20 ATOM 20 C LIG 1 -0.237 -0.342 1.337 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C LIG 1 1.224 0.097 1.260 0.00 0.00 +0.230 C BRANCH 21 22 ATOM 22 O LIG 1 1.912 -0.734 0.317 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.212 -0.329 0.177 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.569 0.353 -0.987 0.00 0.00 +0.049 A ATOM 25 C LIG 1 4.895 0.721 -1.142 0.00 0.00 -0.040 A ATOM 26 C LIG 1 5.509 1.477 -2.277 0.00 0.00 +0.036 C ATOM 27 C LIG 1 7.000 1.178 -2.062 0.00 0.00 +0.013 C ATOM 28 C LIG 1 7.207 0.953 -0.545 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.849 0.422 -0.161 0.00 0.00 -0.040 A ATOM 30 C LIG 1 5.499 -0.272 0.988 0.00 0.00 +0.008 A ATOM 31 C LIG 1 4.166 -0.659 1.150 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 7.526 2.237 0.224 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 8.930 2.722 -0.040 0.00 0.00 +0.305 C ATOM 34 O LIG 1 9.758 2.152 -0.730 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 9.197 3.888 0.594 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 8.451 4.229 1.125 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12