REMARK Name = BDB000152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.145 -0.056 0.189 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.426 -0.840 1.062 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.111 -1.342 0.674 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -0.248 -2.369 1.752 0.00 0.00 +0.033 C ATOM 5 C LIG 1 1.105 -2.808 2.293 0.00 0.00 +0.021 C ATOM 6 C LIG 1 1.934 -1.534 2.232 0.00 0.00 +0.109 C ATOM 7 O LIG 1 1.728 0.174 -0.954 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.952 -0.226 0.653 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.087 -0.565 -0.052 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -2.090 -1.389 -0.636 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -0.829 0.834 1.261 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.209 0.348 -0.188 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -3.740 0.252 -1.615 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -3.147 1.042 -2.617 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.575 0.956 -3.943 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.595 0.075 -4.290 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.184 -0.726 -3.314 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.756 -0.644 -1.987 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -4.267 0.143 0.894 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -4.409 -1.064 1.600 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -5.405 -1.214 2.567 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.278 -0.164 2.841 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.157 1.038 2.149 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.161 1.190 1.182 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 3.461 0.593 0.685 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 N LIG 1 4.348 0.658 -0.482 0.00 0.00 -0.302 N ATOM 27 H LIG 1 3.966 1.167 -1.271 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 5.156 -0.417 -0.794 0.00 0.00 +0.230 C ATOM 29 O LIG 1 5.342 -1.361 -0.027 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 C LIG 1 5.824 -0.329 -2.184 0.00 0.00 +0.135 C ATOM 31 C LIG 1 4.806 -0.581 -3.289 0.00 0.00 +0.033 C BRANCH 30 32 ATOM 32 N LIG 1 6.912 -1.323 -2.281 0.00 0.00 -0.320 NA ATOM 33 H LIG 1 6.507 -2.240 -2.069 0.00 0.00 +0.119 HD ATOM 34 H LIG 1 7.549 -1.163 -1.497 0.00 0.00 +0.119 HD ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 36 ATOM 35 C LIG 1 2.606 1.936 2.677 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.256 2.000 1.293 0.00 0.00 +0.012 C ATOM 37 C LIG 1 2.467 2.960 0.396 0.00 0.00 +0.009 C ENDBRANCH 25 36 ENDBRANCH 1 25 TORSDOF 9