REMARK Name = BDB021407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.702 -0.155 0.831 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.230 1.115 0.474 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.017 1.262 -0.221 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -0.512 2.627 -0.652 0.00 0.00 +0.007 C ATOM 5 C LIG 1 -2.055 2.563 -0.723 0.00 0.00 +0.119 C ATOM 6 N LIG 1 -2.541 1.427 -1.493 0.00 0.00 -0.294 N ATOM 7 C LIG 1 -1.971 0.170 -1.337 0.00 0.00 +0.247 C ATOM 8 O LIG 1 -2.477 -0.855 -1.787 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.073 2.973 -2.036 0.00 0.00 +0.017 C ATOM 10 C LIG 1 -0.150 3.759 0.332 0.00 0.00 +0.017 C ATOM 11 C LIG 1 -0.702 0.096 -0.558 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -0.234 -1.172 -0.176 0.00 0.00 +0.014 A ATOM 13 C LIG 1 0.962 -1.298 0.529 0.00 0.00 +0.014 A ENDROOT BRANCH 1 20 ATOM 14 C LIG 1 6.174 0.087 -0.384 0.00 0.00 +0.121 C ATOM 15 C LIG 1 6.081 0.103 1.158 0.00 0.00 +0.054 C ATOM 16 C LIG 1 5.283 -1.100 1.699 0.00 0.00 +0.079 C ATOM 17 N LIG 1 3.967 -1.078 1.089 0.00 0.00 -0.291 N ATOM 18 C LIG 1 4.162 -1.491 -0.294 0.00 0.00 +0.079 C ATOM 19 C LIG 1 5.107 -2.690 -0.136 0.00 0.00 +0.024 C ATOM 20 C LIG 1 2.972 -0.251 1.582 0.00 0.00 +0.247 C ATOM 21 O LIG 1 3.090 0.415 2.607 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 5.847 -2.433 1.191 0.00 0.00 +0.024 C ATOM 23 C LIG 1 4.838 -0.325 -1.037 0.00 0.00 +0.054 C BRANCH 14 25 ATOM 24 C LIG 1 7.869 1.754 -0.626 0.00 0.00 +0.194 C ATOM 25 O LIG 1 6.532 1.368 -0.914 0.00 0.00 -0.380 OA ENDBRANCH 14 25 ENDBRANCH 1 20 BRANCH 6 26 ATOM 26 C LIG 1 -3.817 1.552 -2.189 0.00 0.00 +0.141 C BRANCH 26 27 ATOM 27 C LIG 1 -5.090 1.594 -1.314 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 -5.484 0.309 -0.533 0.00 0.00 +0.088 C ATOM 29 N LIG 1 -5.438 -0.876 -1.417 0.00 0.00 -0.307 NA ATOM 30 H LIG 1 -4.446 -1.105 -1.590 0.00 0.00 +0.123 HD ATOM 31 C LIG 1 -6.030 -2.035 -0.735 0.00 0.00 +0.117 C ATOM 32 C LIG 1 -5.478 -2.281 0.649 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -4.879 -1.246 1.387 0.00 0.00 -0.041 A ATOM 34 C LIG 1 -4.404 -1.498 2.682 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.542 -2.763 3.250 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.151 -3.787 2.529 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.620 -3.547 1.237 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.689 0.120 0.771 0.00 0.00 +0.056 C ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 O LIG 1 -6.187 1.898 -2.203 0.00 0.00 -0.389 OA ATOM 40 H LIG 1 -6.412 1.042 -2.623 0.00 0.00 +0.210 HD ENDBRANCH 27 39 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6