REMARK Name = BDB024823 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.867 -2.822 0.238 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.423 -1.561 0.675 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.404 -0.472 0.902 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -7.292 -0.769 2.124 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.792 0.921 1.118 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.624 1.140 0.186 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.601 0.086 0.493 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.221 0.380 0.505 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.590 1.581 0.287 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.299 1.339 0.387 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.074 0.011 0.688 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.294 -0.623 0.759 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.675 -1.941 1.008 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.047 -2.225 0.986 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -4.018 -1.246 0.726 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.166 -3.805 0.020 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.721 -4.095 -0.468 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -7.220 -2.852 0.026 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.223 -0.605 0.932 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.013 -0.816 -0.350 0.00 0.00 +0.235 C ATOM 21 N LIG 1 3.401 -0.811 -0.250 0.00 0.00 -0.300 N ATOM 22 C LIG 1 4.176 -0.793 -1.488 0.00 0.00 +0.108 C ATOM 23 C LIG 1 5.572 -0.228 -1.275 0.00 0.00 +0.025 C ATOM 24 C LIG 1 6.364 -1.033 -0.230 0.00 0.00 +0.017 C ATOM 25 C LIG 1 5.454 -1.620 0.860 0.00 0.00 +0.025 C ATOM 26 C LIG 1 4.146 -0.855 1.008 0.00 0.00 +0.108 C ATOM 27 O LIG 1 1.446 -0.972 -1.433 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 7.489 -0.187 0.376 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 O LIG 1 8.370 0.271 -0.636 0.00 0.00 -0.395 OA ATOM 30 H LIG 1 8.779 -0.510 -1.045 0.00 0.00 +0.209 HD ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.767 2.364 0.184 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 1.073 2.546 -1.296 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 2.134 3.515 -1.501 0.00 0.00 -0.271 N ATOM 34 N LIG 1 3.402 3.194 -1.179 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 4.095 4.287 -1.513 0.00 0.00 +0.134 A ATOM 36 C LIG 1 3.275 5.305 -2.030 0.00 0.00 +0.041 A ATOM 37 C LIG 1 2.005 4.782 -1.990 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8