REMARK Name = BDB024852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.843 -3.846 1.660 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.580 -2.813 0.744 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.606 -2.428 -0.256 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.771 -3.517 -1.331 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.336 -1.103 -0.989 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.750 -0.076 -0.047 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.464 -0.636 0.485 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.317 0.167 0.652 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.144 1.500 0.369 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.100 1.792 0.691 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.742 0.675 1.185 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.149 -0.376 1.171 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.055 -1.718 1.547 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.203 -2.506 1.389 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.405 -1.993 0.876 0.00 0.00 +0.045 A ATOM 16 O LIG 1 3.105 -4.219 2.568 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 5.416 -5.431 2.406 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.081 -4.400 1.476 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.113 0.601 1.652 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -3.094 0.574 0.501 0.00 0.00 +0.233 C ATOM 21 N LIG 1 -3.177 -0.624 -0.162 0.00 0.00 -0.305 N ATOM 22 H LIG 1 -2.500 -1.363 0.005 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -3.778 1.550 0.201 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.006 -0.784 -1.343 0.00 0.00 +0.200 C BRANCH 24 25 ATOM 25 C LIG 1 -3.957 -2.245 -1.812 0.00 0.00 +0.232 C ATOM 26 N LIG 1 -4.695 -2.584 -2.942 0.00 0.00 -0.306 N ATOM 27 C LIG 1 -4.604 -3.942 -3.461 0.00 0.00 +0.131 C ATOM 28 C LIG 1 -5.400 -1.627 -3.783 0.00 0.00 +0.131 C ATOM 29 O LIG 1 -3.278 -3.068 -1.189 0.00 0.00 -0.274 OA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.724 3.144 0.529 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.174 4.240 1.114 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -0.504 5.539 1.158 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -0.504 6.332 0.009 0.00 0.00 +0.251 A ATOM 34 O LIG 1 0.036 6.031 -1.052 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -1.228 7.629 0.115 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -1.868 7.957 1.247 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -1.853 7.067 2.377 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -1.185 5.909 2.307 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 8