REMARK Name = BDB008290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.326 0.145 -0.181 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.698 1.233 -0.657 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.600 1.421 -0.370 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.330 0.491 0.360 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.697 -0.659 0.834 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.666 -0.811 0.579 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.437 -1.655 1.589 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -1.828 -2.895 1.106 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.508 -3.760 1.948 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -2.750 -4.923 1.180 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.264 -4.804 -0.063 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -3.434 -6.164 1.610 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -2.824 -3.462 3.226 0.00 0.00 -0.229 NA ATOM 14 C LIG 1 -2.438 -2.237 3.614 0.00 0.00 +0.127 A ATOM 15 C LIG 1 -2.731 -1.850 5.032 0.00 0.00 +0.088 C ATOM 16 N LIG 1 -1.732 -3.562 -0.087 0.00 0.00 -0.263 N ATOM 17 C LIG 1 -1.159 -3.087 -1.325 0.00 0.00 +0.173 C ATOM 18 N LIG 1 -1.769 -1.337 2.862 0.00 0.00 -0.230 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 3.524 0.662 -1.222 0.00 0.00 +0.235 C ATOM 20 N LIG 1 2.683 -0.076 -0.414 0.00 0.00 -0.269 N ATOM 21 H LIG 1 3.160 -0.807 0.104 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 3.211 1.553 -2.003 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 4.988 0.149 -1.120 0.00 0.00 +0.137 C ATOM 24 C LIG 1 5.963 1.306 -1.334 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 6.350 -1.394 0.201 0.00 0.00 +0.101 C ATOM 26 N LIG 1 5.182 -0.520 0.200 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 5.314 0.211 0.904 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 N LIG 1 -1.299 2.560 -0.803 0.00 0.00 -0.265 N ATOM 29 H LIG 1 -2.287 2.574 -0.594 0.00 0.00 +0.157 HD ATOM 30 C LIG 1 -0.749 3.667 -1.433 0.00 0.00 +0.270 C ATOM 31 O LIG 1 0.442 3.844 -1.655 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.721 4.749 -1.843 0.00 0.00 +0.161 A ATOM 33 C LIG 1 -3.092 4.652 -1.618 0.00 0.00 +0.155 A ATOM 34 F LIG 1 -3.638 3.585 -1.013 0.00 0.00 -0.203 F ATOM 35 C LIG 1 -3.935 5.685 -2.020 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -3.385 6.797 -2.644 0.00 0.00 +0.062 A ATOM 37 CL LIG 1 -4.385 8.092 -3.156 0.00 0.00 -0.082 Cl ATOM 38 C LIG 1 -2.013 6.833 -2.838 0.00 0.00 +0.131 A ATOM 39 N LIG 1 -1.176 5.841 -2.453 0.00 0.00 -0.246 NA ENDBRANCH 30 32 ENDBRANCH 3 28 TORSDOF 6