REMARK Name = BDB024826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.312 -3.113 -1.137 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.066 -1.831 -0.611 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.141 -1.112 0.118 0.00 0.00 +0.082 C ATOM 4 C LIG 1 7.267 -0.674 -0.836 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.684 0.139 0.884 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.340 -0.093 1.534 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.360 -0.401 0.441 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.050 0.121 0.452 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.465 0.976 1.357 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.227 1.149 0.945 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.002 0.467 -0.234 0.00 0.00 -0.319 N ATOM 12 C LIG 1 1.155 -0.213 -0.558 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.500 -1.065 -1.607 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.803 -1.583 -1.606 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.737 -1.275 -0.605 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.510 -3.823 -1.732 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.879 -4.856 -1.360 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.585 -3.544 -0.878 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.201 0.550 -1.054 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.372 -0.241 -0.494 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.633 0.011 -1.049 0.00 0.00 -0.300 N ATOM 22 C LIG 1 -3.866 1.019 -2.079 0.00 0.00 +0.132 C ATOM 23 O LIG 1 -2.209 -1.061 0.410 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.845 -0.557 -0.423 0.00 0.00 +0.080 C ATOM 25 C LIG 1 -4.911 -2.088 -0.476 0.00 0.00 +0.050 C ATOM 26 C LIG 1 -6.211 -2.567 0.158 0.00 0.00 +0.161 C ATOM 27 O LIG 1 -6.345 -2.075 1.491 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -6.369 -0.650 1.555 0.00 0.00 +0.161 C ATOM 29 C LIG 1 -5.082 -0.052 1.004 0.00 0.00 +0.050 C ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.795 1.989 1.634 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 -0.708 3.437 1.169 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 -1.995 4.099 1.272 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -2.939 3.862 0.335 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 -3.968 4.614 0.735 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -3.689 5.322 1.919 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -2.401 4.966 2.242 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7