REMARK Name = BDB025097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.844 -0.943 -0.251 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.576 -1.444 -0.597 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.438 -2.882 -0.901 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.168 -3.691 0.374 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.406 -3.135 -1.995 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.052 -2.600 -1.587 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.149 -1.190 -1.080 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.980 -0.392 -1.051 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.290 -0.724 -1.446 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -1.041 0.344 -1.236 0.00 0.00 +0.129 A ATOM 11 N LIG 1 -0.282 1.372 -0.701 0.00 0.00 -0.323 N ATOM 12 C LIG 1 1.017 0.911 -0.578 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.200 1.479 -0.112 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.355 0.683 -0.132 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.369 -0.639 -0.604 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.149 0.232 -0.079 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.760 2.702 -0.320 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.704 2.936 1.202 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.225 4.336 1.561 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.477 5.454 0.813 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.481 4.947 -0.267 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.121 3.845 -1.135 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.714 4.376 1.278 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.255 4.846 0.290 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.419 3.704 2.210 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.258 3.481 1.747 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.086 -1.488 0.228 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.776 -1.938 -0.124 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.509 0.392 -1.553 0.00 0.00 +0.182 C BRANCH 29 30 ATOM 30 N LIG 1 -3.271 -0.343 -0.547 0.00 0.00 -0.290 N ATOM 31 C LIG 1 -3.934 0.343 0.456 0.00 0.00 +0.221 C ATOM 32 O LIG 1 -3.970 1.575 0.514 0.00 0.00 -0.275 OA ATOM 33 C LIG 1 -4.614 -0.491 1.534 0.00 0.00 +0.131 C ATOM 34 C LIG 1 -5.004 -1.876 1.089 0.00 0.00 -0.034 A ATOM 35 C LIG 1 -4.237 -2.508 0.101 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -4.555 -3.811 -0.297 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.636 -4.476 0.281 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.395 -3.849 1.268 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.078 -2.554 1.678 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -3.042 -1.784 -0.455 0.00 0.00 +0.143 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6