REMARK Name = BDB028857 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.767 3.500 -0.650 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.659 2.369 0.136 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.297 2.102 0.269 0.00 0.00 -0.200 N ATOM 4 C LIG 1 -0.167 0.997 1.022 0.00 0.00 +0.126 A ATOM 5 C LIG 1 0.755 0.214 1.607 0.00 0.00 +0.087 A ATOM 6 C LIG 1 2.210 0.555 1.422 0.00 0.00 +0.124 A ATOM 7 N LIG 1 -0.462 3.005 -0.421 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 2.612 1.585 0.721 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 0.430 3.839 -0.953 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.103 5.614 -0.502 0.00 0.00 +0.012 C ATOM 11 C LIG 1 3.024 4.197 -1.074 0.00 0.00 +0.018 C ATOM 12 C LIG 1 3.169 4.225 -2.597 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 3.135 -0.271 2.031 0.00 0.00 -0.329 N ATOM 14 H LIG 1 2.785 -1.204 2.252 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 4.529 -0.318 1.606 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 4.721 -1.419 0.548 0.00 0.00 +0.037 C ATOM 17 C LIG 1 4.584 -2.815 1.191 0.00 0.00 +0.133 C ATOM 18 C LIG 1 5.194 -3.874 0.261 0.00 0.00 +0.112 C ATOM 19 N LIG 1 6.632 -3.695 0.044 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 6.868 -4.011 -0.897 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 7.092 -2.318 0.237 0.00 0.00 +0.081 C ATOM 22 C LIG 1 6.066 -1.273 -0.192 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 3.205 -3.089 1.460 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 3.155 -4.010 1.775 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 -1.554 0.817 1.100 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.020 1.445 0.433 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.214 -0.479 1.198 0.00 0.00 +0.158 C BRANCH 27 28 ATOM 28 C LIG 1 -3.717 -0.315 1.300 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -4.473 -0.856 0.310 0.00 0.00 -0.248 NA ATOM 30 C LIG 1 -5.825 -0.737 0.344 0.00 0.00 +0.092 A ATOM 31 C LIG 1 -6.454 -0.057 1.413 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -7.851 0.075 1.467 0.00 0.00 +0.010 A ATOM 33 C LIG 1 -8.651 -0.462 0.466 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -8.055 -1.133 -0.595 0.00 0.00 +0.025 A ATOM 35 C LIG 1 -5.657 0.492 2.425 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -6.656 -1.278 -0.671 0.00 0.00 +0.056 A ATOM 37 C LIG 1 -4.276 0.363 2.371 0.00 0.00 +0.025 A BRANCH 36 38 ATOM 38 N LIG 1 -6.182 -1.985 -1.822 0.00 0.00 -0.334 N ATOM 39 C LIG 1 -5.371 -1.116 -2.682 0.00 0.00 +0.129 C ATOM 40 C LIG 1 -5.509 -3.231 -1.445 0.00 0.00 +0.129 C ENDBRANCH 36 38 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 9