REMARK Name = BDB024698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.000 3.512 1.069 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.861 2.304 0.360 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.065 1.690 -0.236 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.340 2.262 -1.632 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.997 0.166 -0.223 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.786 -0.318 -0.985 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.542 0.395 -0.539 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.284 -0.200 -0.795 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.004 -1.391 -1.421 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.690 -1.510 -1.425 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.108 -0.430 -0.794 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.113 0.430 -0.406 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.115 1.665 0.233 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.364 2.258 0.473 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.584 1.661 0.108 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.124 4.113 1.681 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.485 5.217 1.734 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.282 3.993 1.027 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.311 -0.192 -0.585 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 1.744 -0.480 0.862 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.163 -0.260 1.174 0.00 0.00 -0.301 NA ATOM 22 C LIG 1 4.049 -1.287 0.621 0.00 0.00 +0.085 C ATOM 23 C LIG 1 5.513 -0.902 0.827 0.00 0.00 +0.027 C ATOM 24 C LIG 1 5.824 0.385 0.049 0.00 0.00 +0.020 C ATOM 25 C LIG 1 6.647 0.178 -1.241 0.00 0.00 +0.169 C ATOM 26 O LIG 1 7.869 0.559 -0.567 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 7.108 1.087 0.546 0.00 0.00 +0.169 C ATOM 28 C LIG 1 4.600 1.283 -0.156 0.00 0.00 +0.027 C ATOM 29 C LIG 1 3.628 1.120 1.011 0.00 0.00 +0.085 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.055 -2.651 -2.050 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 0.759 -3.560 -1.066 0.00 0.00 -0.040 A ATOM 32 C LIG 1 2.081 -3.967 -1.303 0.00 0.00 +0.004 A ATOM 33 C LIG 1 2.731 -4.822 -0.411 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.065 -5.288 0.721 0.00 0.00 +0.000 A ATOM 35 C LIG 1 0.746 -4.909 0.956 0.00 0.00 +0.000 A ATOM 36 C LIG 1 0.092 -4.057 0.064 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6