REMARK Name = BDB024777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.357 -3.466 -1.373 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.275 -2.304 -0.586 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.512 -1.679 -0.055 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.151 -2.551 1.042 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.331 -0.270 0.531 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.352 0.531 -0.294 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.042 -0.198 -0.267 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.814 0.484 -0.135 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.583 1.832 -0.003 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.276 1.972 0.079 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.352 0.744 0.032 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.617 -0.220 -0.140 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.572 -1.605 -0.296 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.795 -2.275 -0.437 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.026 -1.603 -0.428 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.421 -4.054 -1.904 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.791 -5.049 -2.361 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.648 -3.886 -1.545 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.784 0.506 0.118 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.311 0.504 1.564 0.00 0.00 +0.102 C BRANCH 20 21 ATOM 21 N LIG 1 1.951 -0.648 2.401 0.00 0.00 -0.313 NA ATOM 22 H LIG 1 0.934 -0.763 2.379 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 2.568 -1.923 2.001 0.00 0.00 +0.100 C BRANCH 23 24 ATOM 24 C LIG 1 4.092 -2.034 2.218 0.00 0.00 +0.124 C BRANCH 24 25 ATOM 25 N LIG 1 4.910 -1.321 1.251 0.00 0.00 -0.283 N ATOM 26 C LIG 1 4.910 -1.620 -0.112 0.00 0.00 +0.302 C ATOM 27 O LIG 1 4.084 -2.266 -0.731 0.00 0.00 -0.253 OA ATOM 28 N LIG 1 6.036 -1.038 -0.670 0.00 0.00 -0.298 N ATOM 29 H LIG 1 6.152 -1.010 -1.675 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 6.739 -0.244 0.297 0.00 0.00 +0.124 C ATOM 31 C LIG 1 6.191 -0.754 1.622 0.00 0.00 +0.128 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 0.424 3.286 0.179 0.00 0.00 +0.097 C BRANCH 32 33 ATOM 33 C LIG 1 0.585 3.910 -1.201 0.00 0.00 +0.151 C BRANCH 33 34 ATOM 34 N LIG 1 1.360 5.133 -1.141 0.00 0.00 -0.271 N ATOM 35 N LIG 1 2.693 5.068 -0.944 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 3.073 6.348 -0.947 0.00 0.00 +0.134 A ATOM 37 C LIG 1 1.992 7.228 -1.140 0.00 0.00 +0.041 A ATOM 38 C LIG 1 0.894 6.410 -1.262 0.00 0.00 +0.108 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 10