REMARK Name = BDB031942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.928 0.596 -1.026 0.00 0.00 +0.154 A ATOM 2 C LIG 1 0.726 -0.151 -1.261 0.00 0.00 +0.041 A ATOM 3 C LIG 1 0.217 0.337 -2.456 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.964 -0.136 -3.041 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.685 -1.149 -2.381 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.166 -1.661 -1.180 0.00 0.00 +0.005 A ATOM 7 N LIG 1 1.105 1.297 -2.849 0.00 0.00 -0.275 N ATOM 8 H LIG 1 1.065 1.873 -3.681 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 0.021 -1.178 -0.606 0.00 0.00 +0.014 A ATOM 10 N LIG 1 2.133 1.473 -2.012 0.00 0.00 -0.157 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -2.964 -1.706 -2.964 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -4.301 -1.562 -2.265 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -4.543 -0.873 -0.952 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.524 -1.600 -0.263 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -5.995 -1.247 0.983 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -5.459 -0.097 1.571 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -4.480 0.663 0.904 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -5.928 -2.689 -1.037 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -6.634 -3.363 -0.782 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -4.026 0.272 -0.364 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -5.260 -2.730 -2.248 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -5.399 -3.544 -3.145 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -4.032 -0.787 -3.523 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -3.894 1.804 1.383 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -4.312 2.260 2.663 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 2.683 0.369 0.073 0.00 0.00 -0.278 N ATOM 27 H LIG 1 2.399 -0.339 0.738 0.00 0.00 +0.155 HD BRANCH 26 29 ATOM 28 C LIG 1 4.505 0.564 1.694 0.00 0.00 +0.167 A ATOM 29 C LIG 1 3.856 1.026 0.403 0.00 0.00 +0.187 A ATOM 30 N LIG 1 4.390 1.973 -0.316 0.00 0.00 -0.149 NA ATOM 31 N LIG 1 5.556 2.568 0.089 0.00 0.00 -0.231 N ATOM 32 C LIG 1 6.056 3.605 -0.793 0.00 0.00 +0.176 C ATOM 33 C LIG 1 6.240 2.232 1.239 0.00 0.00 +0.271 A ATOM 34 O LIG 1 7.288 2.745 1.623 0.00 0.00 -0.266 OA ATOM 35 C LIG 1 5.642 1.165 2.058 0.00 0.00 +0.121 A BRANCH 28 36 ATOM 36 O LIG 1 3.841 -0.445 2.366 0.00 0.00 -0.489 OA BRANCH 36 38 ATOM 37 C LIG 1 5.421 -2.020 3.326 0.00 0.00 +0.048 C ATOM 38 C LIG 1 4.380 -0.946 3.590 0.00 0.00 +0.226 C ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 6