REMARK Name = BDB044194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 2.654 -0.074 -0.039 0.00 0.00 +0.166 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 0.212 -0.318 -0.148 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.261 -0.521 0.850 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 1.337 0.102 -0.812 0.00 0.00 +0.234 C ATOM 5 O LIG 1 1.306 0.585 -1.944 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA LIG 1 -1.145 -0.140 -0.688 0.00 0.00 +0.165 C BRANCH 6 9 ATOM 7 N LIG 1 -3.423 -0.053 0.292 0.00 0.00 -0.304 N ATOM 8 H LIG 1 -3.712 0.239 -0.647 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.105 -0.363 0.506 0.00 0.00 +0.234 C ATOM 10 O LIG 1 -1.701 -0.790 1.591 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA LIG 1 -4.435 -0.154 1.327 0.00 0.00 +0.136 C BRANCH 11 12 ATOM 12 C LIG 1 -5.802 -0.486 0.746 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -6.088 -0.467 -0.449 0.00 0.00 -0.299 OA ENDBRANCH 11 12 BRANCH 11 14 ATOM 14 CB LIG 1 -4.468 1.072 2.253 0.00 0.00 +0.032 C BRANCH 14 16 ATOM 15 CD1 LIG 1 -4.416 2.843 0.368 0.00 0.00 +0.007 C ATOM 16 CG LIG 1 -4.994 2.425 1.717 0.00 0.00 -0.015 C ATOM 17 CD2 LIG 1 -6.522 2.500 1.683 0.00 0.00 +0.007 C ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 9 BRANCH 6 18 ATOM 18 CB LIG 1 -1.423 -1.128 -1.830 0.00 0.00 +0.088 C BRANCH 18 19 ATOM 19 CG LIG 1 -2.658 -0.843 -2.619 0.00 0.00 +0.061 A ATOM 20 ND1 LIG 1 -3.349 0.341 -2.474 0.00 0.00 -0.241 NA ATOM 21 CE1 LIG 1 -4.383 0.246 -3.280 0.00 0.00 +0.196 A ATOM 22 NE2 LIG 1 -4.395 -0.949 -3.938 0.00 0.00 -0.351 N ATOM 23 HE2 LIG 1 -5.100 -1.255 -4.594 0.00 0.00 +0.166 HD ATOM 24 CD2 LIG 1 -3.296 -1.654 -3.532 0.00 0.00 +0.107 A ENDBRANCH 18 19 ENDBRANCH 6 18 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 25 ATOM 25 N LIG 1 3.698 -0.290 -1.033 0.00 0.00 -0.269 N ATOM 26 H LIG 1 3.525 -0.008 -1.992 0.00 0.00 +0.153 HD ATOM 27 C LIG 1 4.873 -0.906 -0.752 0.00 0.00 +0.401 C ATOM 28 O LIG 1 5.196 -1.313 0.353 0.00 0.00 -0.226 OA BRANCH 27 29 ATOM 29 O LIG 1 5.614 -0.985 -1.879 0.00 0.00 -0.446 OA BRANCH 29 30 ATOM 30 C LIG 1 6.879 -1.641 -1.743 0.00 0.00 +0.269 C BRANCH 30 31 ATOM 31 C LIG 1 6.754 -3.079 -2.176 0.00 0.00 -0.010 A ATOM 32 C LIG 1 6.792 -3.419 -3.536 0.00 0.00 +0.007 A ATOM 33 C LIG 1 6.659 -4.750 -3.935 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.477 -5.750 -2.982 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.423 -5.421 -1.629 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.557 -4.091 -1.227 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 25 BRANCH 1 37 ATOM 37 C LIG 1 2.965 1.158 0.824 0.00 0.00 +0.067 C BRANCH 37 38 ATOM 38 C LIG 1 2.066 1.293 2.038 0.00 0.00 -0.037 A ATOM 39 C LIG 1 0.957 2.186 2.095 0.00 0.00 -0.015 A ATOM 40 C LIG 1 0.175 2.220 3.279 0.00 0.00 -0.018 A ATOM 41 C LIG 1 -0.921 3.092 3.379 0.00 0.00 +0.008 A ATOM 42 C LIG 1 -1.266 3.936 2.326 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -0.523 3.910 1.155 0.00 0.00 +0.001 A ATOM 44 C LIG 1 0.493 1.379 4.355 0.00 0.00 +0.008 A ATOM 45 C LIG 1 1.574 0.506 4.286 0.00 0.00 +0.001 A ATOM 46 C LIG 1 0.571 3.048 1.040 0.00 0.00 +0.009 A ATOM 47 C LIG 1 2.355 0.465 3.139 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 15