REMARK Name = BDB014199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.187 -2.659 1.805 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -1.192 -2.543 0.407 0.00 0.00 +0.079 A ATOM 3 C LIG 1 -2.365 -2.221 -0.291 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -3.552 -1.957 0.405 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -3.547 -2.072 1.801 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.378 -2.415 2.494 0.00 0.00 +0.047 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.020 -2.803 -0.396 0.00 0.00 +0.250 C ATOM 8 N LIG 1 1.057 -1.880 -0.356 0.00 0.00 -0.294 N ATOM 9 C LIG 1 1.033 -0.610 0.377 0.00 0.00 +0.127 C ATOM 10 C LIG 1 1.883 0.492 -0.287 0.00 0.00 +0.125 C ATOM 11 N LIG 1 3.251 0.043 -0.592 0.00 0.00 -0.312 N ATOM 12 C LIG 1 3.504 -1.407 -0.559 0.00 0.00 +0.125 C ATOM 13 C LIG 1 2.288 -2.184 -1.089 0.00 0.00 +0.127 C ATOM 14 O LIG 1 0.035 -3.811 -1.099 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 4.329 0.868 -0.281 0.00 0.00 +0.123 A ATOM 16 N LIG 1 5.484 0.285 0.129 0.00 0.00 -0.238 NA ATOM 17 C LIG 1 6.582 1.018 0.434 0.00 0.00 +0.140 A ATOM 18 C LIG 1 6.507 2.389 0.315 0.00 0.00 +0.084 A ATOM 19 C LIG 1 5.352 3.022 -0.112 0.00 0.00 +0.094 A ATOM 20 N LIG 1 5.532 4.386 -0.153 0.00 0.00 -0.236 NA ATOM 21 C LIG 1 6.771 4.582 0.236 0.00 0.00 +0.197 A ATOM 22 N LIG 1 7.400 3.404 0.530 0.00 0.00 -0.343 N ATOM 23 H LIG 1 8.355 3.305 0.844 0.00 0.00 +0.167 HD ATOM 24 C LIG 1 4.232 2.252 -0.429 0.00 0.00 +0.073 A ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 1 26 ATOM 25 C LIG 1 -0.038 -3.368 3.770 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -0.002 -2.995 2.399 0.00 0.00 -0.494 OA ENDBRANCH 1 26 BRANCH 4 27 ATOM 27 C LIG 1 -4.824 -1.607 -0.333 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -4.643 -0.504 -1.369 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -4.506 0.911 -0.936 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.312 1.865 -1.934 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -4.167 3.219 -1.610 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -4.217 3.622 -0.277 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.414 2.675 0.726 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.265 1.434 -3.341 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -4.098 2.240 -4.250 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.423 0.090 -3.566 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -4.388 -0.229 -4.530 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -4.560 1.322 0.401 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -4.603 -0.867 -2.617 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 5