REMARK Name = BDB024755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.934 -1.191 -1.035 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.983 -0.156 -1.038 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.440 1.159 -1.535 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.400 1.833 -0.540 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.316 2.157 -1.857 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.130 1.447 -2.473 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.643 0.440 -1.471 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.271 0.231 -1.225 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.192 0.859 -1.782 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.886 0.335 -1.228 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.533 -0.652 -0.322 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -0.855 -0.713 -0.298 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.771 -1.475 0.435 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.134 -1.270 0.179 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.586 -0.347 -0.773 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.129 -1.015 -1.264 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 1.379 -1.482 0.536 0.00 0.00 +0.089 C ATOM 18 C LIG 1 1.839 -0.733 1.795 0.00 0.00 +0.026 C ATOM 19 C LIG 1 2.782 -1.600 2.623 0.00 0.00 +0.013 C ATOM 20 C LIG 1 4.058 -1.983 1.852 0.00 0.00 +0.058 C ATOM 21 C LIG 1 3.902 -1.895 0.323 0.00 0.00 +0.013 C ATOM 22 C LIG 1 2.503 -2.270 -0.166 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 5.244 -1.190 2.300 0.00 0.00 +0.152 A ATOM 24 N LIG 1 5.295 0.176 2.368 0.00 0.00 -0.242 N ATOM 25 H LIG 1 4.595 0.874 2.143 0.00 0.00 +0.192 HD ATOM 26 N LIG 1 6.503 0.567 2.795 0.00 0.00 -0.047 NA ATOM 27 N LIG 1 7.181 -0.554 2.987 0.00 0.00 -0.023 NA ATOM 28 N LIG 1 6.415 -1.653 2.684 0.00 0.00 -0.113 NA ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 -6.370 -3.496 -0.891 0.00 0.00 +0.282 C ATOM 30 O LIG 1 -5.416 -2.436 -0.827 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 2.268 0.791 -1.597 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 2.921 1.782 -0.654 0.00 0.00 -0.040 A ATOM 33 C LIG 1 4.322 1.889 -0.639 0.00 0.00 +0.004 A ATOM 34 C LIG 1 4.962 2.816 0.186 0.00 0.00 +0.000 A ATOM 35 C LIG 1 4.210 3.656 1.003 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.820 3.586 0.977 0.00 0.00 +0.000 A ATOM 37 C LIG 1 2.178 2.667 0.144 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5