REMARK Name = BDB045223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.676 0.479 1.336 0.00 0.00 +0.247 C ATOM 2 N LIG 1 0.596 -0.120 1.321 0.00 0.00 -0.295 N ATOM 3 O LIG 1 -1.008 1.349 2.139 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 -3.937 -0.480 -0.289 0.00 0.00 +0.163 A ATOM 5 C LIG 1 -3.557 -0.582 -1.644 0.00 0.00 +0.162 A ATOM 6 C LIG 1 -2.233 -0.321 -2.015 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -1.288 0.030 -1.049 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.661 0.095 0.297 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -2.985 -0.141 0.677 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 -4.546 -0.951 -2.523 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 -4.282 -0.780 -3.908 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 -5.252 -0.751 -0.005 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 -5.766 -0.278 1.239 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 -7.289 -0.409 1.230 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 -7.992 0.767 0.547 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 -7.914 0.106 -1.737 0.00 0.00 +0.193 C ATOM 17 O LIG 1 -7.516 1.060 -0.761 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 0.722 -1.567 1.002 0.00 0.00 +0.070 C ATOM 19 C LIG 1 0.525 -2.433 2.252 0.00 0.00 +0.028 C ATOM 20 C LIG 1 2.028 -1.914 0.287 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 1.598 0.472 2.223 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 C LIG 1 2.320 1.717 1.695 0.00 0.00 +0.062 C ATOM 23 C LIG 1 2.958 1.567 0.317 0.00 0.00 +0.197 C ATOM 24 C LIG 1 3.135 3.022 -0.152 0.00 0.00 +0.126 C ATOM 25 N LIG 1 2.440 3.866 0.834 0.00 0.00 -0.312 NA ATOM 26 H LIG 1 1.945 4.629 0.373 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 1.492 2.978 1.521 0.00 0.00 +0.089 C BRANCH 23 28 ATOM 28 O LIG 1 4.198 0.862 0.442 0.00 0.00 -0.445 OA BRANCH 28 29 ATOM 29 C LIG 1 4.768 0.497 -0.737 0.00 0.00 +0.403 C ATOM 30 N LIG 1 5.947 -0.172 -0.544 0.00 0.00 -0.267 N ATOM 31 C LIG 1 6.551 -0.466 0.741 0.00 0.00 +0.111 C ATOM 32 C LIG 1 7.685 -1.425 0.408 0.00 0.00 +0.021 C ATOM 33 C LIG 1 8.093 -0.997 -0.998 0.00 0.00 +0.021 C ATOM 34 C LIG 1 6.763 -0.638 -1.645 0.00 0.00 +0.111 C ATOM 35 O LIG 1 4.285 0.732 -1.837 0.00 0.00 -0.226 OA ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 12