REMARK Name = BDB038961 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.112 2.177 3.307 0.00 0.00 +0.403 C ATOM 2 N LIG 1 3.853 1.419 2.179 0.00 0.00 -0.263 N ATOM 3 C LIG 1 2.491 1.421 1.671 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.206 0.393 0.603 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.196 -0.505 0.111 0.00 0.00 -0.036 A ATOM 6 C LIG 1 2.875 -1.488 -0.867 0.00 0.00 -0.036 A ATOM 7 C LIG 1 1.568 -1.525 -1.397 0.00 0.00 +0.032 A ATOM 8 C LIG 1 0.613 -0.616 -0.920 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.726 -0.394 -1.228 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -1.180 0.606 -0.384 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.189 1.065 0.358 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.586 -0.401 0.712 0.00 0.00 +0.055 C ATOM 13 C LIG 1 0.911 0.314 0.058 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.890 0.993 1.256 0.00 0.00 +0.116 C ATOM 15 O LIG 1 3.245 2.721 3.981 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -2.584 1.149 -0.293 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.731 2.426 -1.147 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.648 3.712 -0.323 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -3.701 3.768 0.795 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -4.132 2.384 1.291 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.989 1.383 1.179 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -4.922 4.570 0.403 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -5.497 5.384 1.107 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.402 4.278 -0.820 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -6.189 4.856 -0.902 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 6 26 ATOM 26 C LIG 1 3.919 -2.485 -1.351 0.00 0.00 +0.047 C ATOM 27 C LIG 1 4.325 -3.529 -0.310 0.00 0.00 +0.168 C ATOM 28 O LIG 1 4.903 -4.639 -1.022 0.00 0.00 -0.379 OA ATOM 29 C LIG 1 4.673 -4.442 -2.422 0.00 0.00 +0.160 C ATOM 30 C LIG 1 3.583 -3.398 -2.524 0.00 0.00 +0.038 C ENDBRANCH 6 26 BRANCH 1 32 ATOM 31 C LIG 1 5.746 3.021 4.757 0.00 0.00 +0.282 C ATOM 32 O LIG 1 5.441 2.253 3.593 0.00 0.00 -0.454 OA ENDBRANCH 1 32 BRANCH 9 33 ATOM 33 C LIG 1 -1.422 -1.129 -2.285 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -2.369 -0.319 -3.175 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 C LIG 1 -1.997 -2.485 -1.822 0.00 0.00 +0.060 C BRANCH 35 36 ATOM 36 C LIG 1 -3.146 -2.439 -0.847 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -2.904 -2.467 0.533 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -3.965 -2.437 1.439 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.277 -2.372 0.976 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.530 -2.347 -0.394 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.471 -2.384 -1.302 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 9 33 TORSDOF 8