REMARK Name = BDB032257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.023 -1.174 -0.251 0.00 0.00 +0.138 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.953 0.074 -1.059 0.00 0.00 +0.215 A ATOM 3 N LIG 1 1.458 0.256 0.182 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 0.187 -0.156 0.395 0.00 0.00 +0.119 A ATOM 5 C LIG 1 -0.617 -0.751 -0.574 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -0.073 -0.909 -1.851 0.00 0.00 +0.012 A ATOM 7 C LIG 1 1.232 -0.492 -2.098 0.00 0.00 +0.067 A BRANCH 2 8 ATOM 8 O LIG 1 3.241 0.471 -1.357 0.00 0.00 -0.476 OA BRANCH 8 9 ATOM 9 C LIG 1 3.942 0.993 -0.226 0.00 0.00 +0.235 C BRANCH 9 15 ATOM 10 C LIG 1 8.481 -0.813 1.133 0.00 0.00 +0.104 C ATOM 11 N LIG 1 7.022 -0.677 1.121 0.00 0.00 -0.305 NA ATOM 12 C LIG 1 6.492 -0.924 -0.238 0.00 0.00 +0.088 C ATOM 13 C LIG 1 6.439 0.427 -0.878 0.00 0.00 +0.014 C ATOM 14 C LIG 1 6.516 1.442 0.214 0.00 0.00 +0.014 C ATOM 15 C LIG 1 5.304 1.411 -0.694 0.00 0.00 +0.036 C ATOM 16 C LIG 1 6.628 0.695 1.506 0.00 0.00 +0.088 C ENDBRANCH 9 15 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 17 ATOM 17 N LIG 1 -2.878 0.003 -0.191 0.00 0.00 -0.340 N ATOM 18 H LIG 1 -2.655 0.685 -0.913 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 -4.257 -0.144 -0.019 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.084 0.956 -0.289 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -6.477 0.919 -0.083 0.00 0.00 -0.011 A ATOM 22 C LIG 1 -7.077 -0.243 0.440 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -8.482 -0.227 0.625 0.00 0.00 +0.124 A ATOM 24 N LIG 1 -9.250 0.837 0.328 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 -8.641 1.932 -0.165 0.00 0.00 +0.113 A ATOM 26 C LIG 1 -6.236 -1.335 0.751 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -7.279 2.022 -0.384 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.853 -1.276 0.538 0.00 0.00 +0.023 A BRANCH 23 29 ATOM 29 N LIG 1 -9.162 -1.341 1.145 0.00 0.00 -0.343 N ATOM 30 H LIG 1 -8.801 -1.547 2.070 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 -8.998 -2.142 0.543 0.00 0.00 +0.144 HD ENDBRANCH 23 29 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7