REMARK Name = BDB059679 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.621 2.177 -1.370 0.00 0.00 +0.136 C ATOM 2 N LIG 1 0.322 1.044 -1.319 0.00 0.00 -0.196 N ATOM 3 N LIG 1 -0.307 -0.141 -0.958 0.00 0.00 -0.182 NA ATOM 4 C LIG 1 -1.581 0.115 -0.932 0.00 0.00 +0.072 C ATOM 5 C LIG 1 -1.981 1.489 -1.397 0.00 0.00 +0.087 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.604 -0.864 -0.530 0.00 0.00 +0.040 A ATOM 7 C LIG 1 -2.493 -1.567 0.676 0.00 0.00 +0.133 A ATOM 8 C LIG 1 -3.467 -2.520 1.057 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -4.546 -2.768 0.172 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -5.524 -3.717 0.513 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -5.458 -4.413 1.719 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.418 -4.164 2.606 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.638 -2.057 -1.036 0.00 0.00 +0.009 A ATOM 14 C LIG 1 -3.436 -3.227 2.281 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -3.680 -1.105 -1.384 0.00 0.00 +0.014 A BRANCH 7 16 ATOM 16 O LIG 1 -1.436 -1.285 1.504 0.00 0.00 -0.506 OA ATOM 17 H LIG 1 -1.089 -2.130 1.835 0.00 0.00 +0.292 HD ENDBRANCH 7 16 ENDBRANCH 4 6 BRANCH 1 21 ATOM 18 C LIG 1 -0.311 4.913 1.992 0.00 0.00 +0.120 A ATOM 19 C LIG 1 -0.312 3.535 2.208 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -0.401 2.643 1.136 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -0.495 3.118 -0.181 0.00 0.00 -0.025 A ATOM 22 C LIG 1 -0.499 4.506 -0.389 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -0.406 5.396 0.688 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 -0.132 7.079 2.952 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -0.218 5.671 3.127 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 1 21 BRANCH 2 26 ATOM 26 C LIG 1 1.711 1.054 -1.570 0.00 0.00 +0.157 C ATOM 27 S LIG 1 2.525 2.418 -2.097 0.00 0.00 -0.017 S BRANCH 26 28 ATOM 28 N LIG 1 2.225 -0.216 -1.334 0.00 0.00 -0.295 N ATOM 29 H LIG 1 1.453 -0.816 -1.047 0.00 0.00 +0.154 HD BRANCH 28 30 ATOM 30 C LIG 1 3.495 -0.816 -1.393 0.00 0.00 +0.036 A ATOM 31 C LIG 1 3.543 -2.185 -1.085 0.00 0.00 +0.069 A ATOM 32 C LIG 1 4.744 -2.904 -1.104 0.00 0.00 +0.122 A ATOM 33 C LIG 1 5.924 -2.245 -1.434 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.893 -0.884 -1.740 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.686 -0.175 -1.718 0.00 0.00 +0.023 A BRANCH 32 36 ATOM 36 O LIG 1 4.624 -4.228 -0.781 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 5.817 -5.001 -0.791 0.00 0.00 +0.277 C ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 2 26 TORSDOF 8