REMARK Name = BDB031741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.604 -2.259 -1.204 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.760 -3.102 -0.456 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.425 -2.722 -0.272 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.884 -1.557 -0.800 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.480 -1.552 -0.373 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.764 -2.649 0.338 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.717 -0.720 -1.565 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.394 -3.318 0.399 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.414 -4.188 0.918 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.057 -1.089 -1.758 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.344 1.165 1.468 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.194 -0.108 0.896 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.061 -0.511 -0.110 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.194 -1.772 -0.917 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.053 -2.617 -1.445 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.400 -1.519 -1.793 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.850 -0.243 -1.506 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.654 0.164 -1.958 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.867 -2.308 -2.596 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.930 -3.122 -0.316 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.078 0.365 -0.515 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.257 1.621 0.024 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.371 2.022 1.029 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.523 2.728 3.066 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.429 1.452 2.445 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.336 -0.554 -0.703 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -0.978 0.262 -1.182 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.593 -0.264 -0.124 0.00 0.00 +0.172 A ATOM 29 C LIG 1 -3.428 0.659 -0.748 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.675 0.912 -0.169 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -5.086 0.199 0.900 0.00 0.00 -0.213 NA ATOM 32 C LIG 1 -4.234 -0.700 1.420 0.00 0.00 +0.136 A ATOM 33 N LIG 1 -2.998 -0.929 0.965 0.00 0.00 -0.213 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.551 1.872 -0.693 0.00 0.00 -0.308 N ATOM 35 C LIG 1 -4.991 3.220 -0.929 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -5.828 4.301 -0.222 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -7.211 4.297 -0.601 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -7.737 2.976 -0.811 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -6.917 1.863 -0.140 0.00 0.00 +0.134 C ENDBRANCH 30 34 BRANCH 29 40 ATOM 40 O LIG 1 -2.982 1.294 -1.885 0.00 0.00 -0.489 OA ATOM 41 C LIG 1 -3.573 0.681 -3.036 0.00 0.00 +0.277 C ENDBRANCH 29 40 BRANCH 32 42 ATOM 42 C LIG 1 -4.674 -1.510 2.608 0.00 0.00 +0.104 C BRANCH 42 43 ATOM 43 C LIG 1 -4.371 -2.995 2.410 0.00 0.00 +0.163 C BRANCH 43 44 ATOM 44 O LIG 1 -2.982 -3.284 2.568 0.00 0.00 -0.395 OA ATOM 45 H LIG 1 -2.505 -2.777 1.867 0.00 0.00 +0.209 HD ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 32 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 9