REMARK Name = BDB022427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.239 3.071 0.673 0.00 0.00 -0.035 A ATOM 2 C LIG 1 2.009 2.392 0.743 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.046 2.466 -0.284 0.00 0.00 +0.001 A ATOM 4 C LIG 1 1.351 3.264 -1.400 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.553 3.967 -1.481 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.486 3.875 -0.451 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.232 1.729 -0.211 0.00 0.00 +0.071 A ATOM 8 N LIG 1 -0.714 1.258 -1.387 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -1.885 0.570 -1.364 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -2.661 0.339 -0.230 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -2.121 0.808 0.968 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -0.915 1.515 0.983 0.00 0.00 +0.030 A BRANCH 10 13 ATOM 13 N LIG 1 -3.833 -0.426 -0.190 0.00 0.00 -0.339 N ATOM 14 H LIG 1 -4.426 -0.140 0.585 0.00 0.00 +0.146 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.586 -0.621 -1.418 0.00 0.00 +0.129 C BRANCH 15 16 ATOM 16 C LIG 1 -5.763 -1.472 -1.068 0.00 0.00 -0.003 C ATOM 17 C LIG 1 -7.036 -1.048 -1.102 0.00 0.00 +0.065 C BRANCH 17 18 ATOM 18 C LIG 1 -8.165 -1.971 -0.837 0.00 0.00 +0.239 C ATOM 19 N LIG 1 -8.218 -2.606 0.390 0.00 0.00 -0.304 N ATOM 20 C LIG 1 -9.226 -3.632 0.597 0.00 0.00 +0.132 C ATOM 21 C LIG 1 -7.398 -2.275 1.547 0.00 0.00 +0.132 C ATOM 22 O LIG 1 -9.006 -2.113 -1.722 0.00 0.00 -0.271 OA ENDBRANCH 17 18 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 3.947 2.217 3.055 0.00 0.00 +0.022 C ATOM 24 C LIG 1 4.286 2.992 1.778 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 5.702 2.671 1.291 0.00 0.00 +0.225 C ATOM 26 N LIG 1 6.099 1.489 0.754 0.00 0.00 -0.268 N ATOM 27 H LIG 1 7.073 1.497 0.487 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 6.583 3.540 1.397 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 5.404 0.351 0.431 0.00 0.00 +0.147 A ATOM 30 N LIG 1 4.120 0.116 0.685 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 3.871 -1.075 0.120 0.00 0.00 -0.280 N ATOM 32 H LIG 1 2.921 -1.430 0.142 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 4.978 -1.656 -0.419 0.00 0.00 +0.041 A ATOM 34 C LIG 1 5.997 -0.753 -0.235 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 5.019 -3.039 -1.114 0.00 0.00 +0.037 C ATOM 36 C LIG 1 5.686 -3.161 -2.458 0.00 0.00 +0.010 C ATOM 37 C LIG 1 6.317 -3.788 -1.248 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9