REMARK Name = BDB008493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.056 -0.846 2.222 0.00 0.00 -0.254 N ATOM 2 H LIG 1 2.123 -0.051 2.833 0.00 0.00 +0.158 HD ATOM 3 C LIG 1 1.305 -0.681 1.075 0.00 0.00 +0.313 C ATOM 4 N LIG 1 1.442 0.594 0.503 0.00 0.00 -0.239 N ATOM 5 C LIG 1 0.449 1.088 -0.392 0.00 0.00 +0.133 A ATOM 6 C LIG 1 0.752 2.139 -1.266 0.00 0.00 -0.007 A ATOM 7 C LIG 1 -0.244 2.597 -2.143 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.516 2.019 -2.133 0.00 0.00 -0.001 A ATOM 9 CA LIG 1 -1.728 1.001 -1.207 0.00 0.00 +0.110 A ATOM 10 C LIG 1 2.093 2.821 -1.268 0.00 0.00 +0.040 C ATOM 11 C LIG 1 3.163 1.961 -0.618 0.00 0.00 +0.024 C ATOM 12 N LIG 1 -0.786 0.556 -0.344 0.00 0.00 -0.228 NA ATOM 13 C LIG 1 2.642 1.407 0.698 0.00 0.00 +0.117 C ATOM 14 O LIG 1 0.627 -1.587 0.598 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 19 ATOM 15 C LIG 1 2.752 -4.417 2.903 0.00 0.00 +0.143 A ATOM 16 C LIG 1 3.055 -4.327 4.257 0.00 0.00 +0.111 A ATOM 17 C LIG 1 3.037 -3.062 4.820 0.00 0.00 +0.135 A ATOM 18 N LIG 1 2.724 -1.927 4.146 0.00 0.00 -0.239 NA ATOM 19 C LIG 1 2.352 -2.054 2.854 0.00 0.00 +0.130 A ATOM 20 C LIG 1 2.355 -3.277 2.200 0.00 0.00 +0.090 A BRANCH 16 21 ATOM 21 C LIG 1 3.373 -5.456 5.069 0.00 0.00 +0.104 C ATOM 22 N LIG 1 3.648 -6.353 5.755 0.00 0.00 -0.191 NA ENDBRANCH 16 21 BRANCH 15 23 ATOM 23 O LIG 1 2.750 -5.593 2.200 0.00 0.00 -0.488 OA BRANCH 23 24 ATOM 24 C LIG 1 4.063 -6.111 1.911 0.00 0.00 +0.257 C BRANCH 24 25 ATOM 25 C LIG 1 4.934 -5.196 1.038 0.00 0.00 +0.200 C BRANCH 25 27 ATOM 26 C LIG 1 4.250 -5.853 -1.149 0.00 0.00 +0.194 C ATOM 27 O LIG 1 4.316 -4.809 -0.190 0.00 0.00 -0.380 OA ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 15 23 ENDBRANCH 1 19 BRANCH 9 28 ATOM 28 C LIG 1 -3.067 0.385 -1.052 0.00 0.00 +0.278 C ATOM 29 O LIG 1 -3.641 0.300 0.025 0.00 0.00 -0.294 OA ENDBRANCH 9 28 BRANCH 8 30 ATOM 30 C LIG 1 -2.591 2.521 -3.058 0.00 0.00 +0.145 C BRANCH 30 31 ATOM 31 N LIG 1 -3.755 3.033 -2.343 0.00 0.00 -0.295 N ATOM 32 C LIG 1 -5.025 2.623 -2.747 0.00 0.00 +0.230 C ATOM 33 O LIG 1 -5.181 1.779 -3.633 0.00 0.00 -0.274 OA ATOM 34 C LIG 1 -6.230 3.154 -1.951 0.00 0.00 +0.180 C ATOM 35 N LIG 1 -6.031 4.524 -1.423 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 -7.171 4.904 -0.589 0.00 0.00 +0.105 C ATOM 37 C LIG 1 -4.786 4.557 -0.644 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -3.606 4.271 -1.576 0.00 0.00 +0.123 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 9