REMARK Name = BDB008618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.429 -1.607 -0.546 0.00 0.00 +0.163 A ATOM 2 C LIG 1 0.702 -2.651 -1.113 0.00 0.00 +0.176 A ATOM 3 C LIG 1 -0.366 -3.271 -0.476 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.830 -4.266 -1.379 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.026 -4.184 -2.493 0.00 0.00 +0.196 A ATOM 6 C LIG 1 -0.740 -2.827 0.809 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -0.035 -1.765 1.419 0.00 0.00 -0.023 A ATOM 8 O LIG 1 0.903 -3.205 -2.342 0.00 0.00 -0.459 OA ATOM 9 C LIG 1 1.059 -1.194 0.739 0.00 0.00 +0.055 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.395 -1.225 2.800 0.00 0.00 +0.104 C ATOM 11 C LIG 1 -1.560 -1.910 3.530 0.00 0.00 +0.033 C BRANCH 10 12 ATOM 12 N LIG 1 -0.544 0.257 2.851 0.00 0.00 -0.289 N ATOM 13 C LIG 1 -1.577 0.991 2.245 0.00 0.00 +0.246 C ATOM 14 O LIG 1 -1.905 2.103 2.680 0.00 0.00 -0.273 OA BRANCH 13 15 ATOM 15 C LIG 1 -2.280 0.416 1.000 0.00 0.00 +0.217 C ATOM 16 O LIG 1 -1.396 0.500 -0.130 0.00 0.00 -0.365 OA ATOM 17 C LIG 1 -2.072 0.619 -1.388 0.00 0.00 +0.176 C ATOM 18 C LIG 1 -3.466 -0.023 -1.382 0.00 0.00 +0.109 C ATOM 19 N LIG 1 -4.371 0.608 -0.405 0.00 0.00 -0.311 NA ATOM 20 H LIG 1 -5.038 -0.088 -0.073 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -3.606 1.165 0.734 0.00 0.00 +0.122 C ENDBRANCH 13 15 BRANCH 12 22 ATOM 22 C LIG 1 0.142 0.904 3.962 0.00 0.00 +0.077 C ATOM 23 C LIG 1 1.633 0.812 4.166 0.00 0.00 +0.024 C ATOM 24 C LIG 1 1.026 2.101 3.712 0.00 0.00 +0.024 C ENDBRANCH 12 22 ENDBRANCH 10 12 ENDBRANCH 7 10 BRANCH 1 25 ATOM 25 O LIG 1 2.489 -1.026 -1.196 0.00 0.00 -0.488 OA BRANCH 25 26 ATOM 26 C LIG 1 2.106 0.260 -1.701 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 C LIG 1 3.210 0.754 -2.625 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 C LIG 1 2.907 2.145 -3.160 0.00 0.00 +0.163 C BRANCH 28 30 ATOM 29 C LIG 1 3.769 3.843 -4.549 0.00 0.00 +0.193 C ATOM 30 O LIG 1 3.965 2.533 -4.034 0.00 0.00 -0.383 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9