REMARK Name = BDB016028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.172 -0.457 -0.244 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.166 -0.599 -0.178 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.672 -1.774 0.245 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.160 -2.845 0.571 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.517 -2.599 0.460 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.049 -1.427 0.063 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.576 2.281 -1.384 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.061 1.035 -0.987 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.700 0.857 -0.663 0.00 0.00 +0.020 A ATOM 10 C LIG 1 0.865 1.986 -0.750 0.00 0.00 +0.011 A ATOM 11 C LIG 1 1.359 3.231 -1.142 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.708 3.376 -1.460 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 8.509 1.714 -1.523 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.164 2.176 -1.760 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.956 3.196 -2.611 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.630 3.357 -2.582 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.982 2.442 -1.718 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.018 1.692 -1.200 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.303 -4.144 1.018 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.262 -4.907 0.385 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.371 -6.059 1.107 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.245 -7.175 0.837 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -0.546 -6.104 2.168 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 0.112 -4.943 2.106 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.075 -1.907 0.319 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.324 -2.340 1.206 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.847 -0.709 0.017 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -2.858 0.309 1.155 0.00 0.00 +0.042 C ATOM 29 C LIG 1 -4.056 1.198 0.830 0.00 0.00 +0.078 C ATOM 30 C LIG 1 -5.048 0.286 0.091 0.00 0.00 +0.022 C ATOM 31 C LIG 1 -4.329 -1.046 -0.122 0.00 0.00 +0.024 C BRANCH 29 32 ATOM 32 N LIG 1 -3.656 2.299 -0.067 0.00 0.00 -0.192 NA ATOM 33 H LIG 1 -3.158 2.059 -0.927 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 S LIG 1 -3.073 3.726 0.602 0.00 0.00 +0.027 S ATOM 35 O LIG 1 -2.539 3.437 1.912 0.00 0.00 -0.158 OA ATOM 36 O LIG 1 -2.271 4.341 -0.432 0.00 0.00 -0.158 OA ATOM 37 C LIG 1 -4.572 4.668 0.778 0.00 0.00 +0.214 C ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7