REMARK Name = BDB038727 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.422 1.047 -0.759 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.126 0.703 -0.361 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.228 0.202 -1.293 0.00 0.00 +0.129 A ATOM 4 N LIG 1 1.571 0.051 -2.592 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 2.816 0.393 -3.006 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.755 0.889 -2.107 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.076 -0.184 -0.939 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.650 -0.194 0.325 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.186 0.103 1.410 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.027 -0.675 0.156 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.235 -0.950 -1.192 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -3.459 -1.421 -1.629 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.468 -1.611 -0.677 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.255 -1.336 0.696 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -3.007 -0.854 1.117 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.993 -0.655 -1.966 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.374 -1.542 1.691 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 -6.413 -0.533 1.506 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 -6.000 0.394 1.618 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 -7.530 -0.702 2.434 0.00 0.00 +0.082 C ATOM 21 C LIG 1 -8.686 0.266 2.170 0.00 0.00 +0.178 C ATOM 22 O LIG 1 -9.392 0.426 3.413 0.00 0.00 -0.378 OA ATOM 23 C LIG 1 -8.607 -0.169 4.454 0.00 0.00 +0.161 C ATOM 24 C LIG 1 -7.220 -0.384 3.885 0.00 0.00 +0.049 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 5.629 0.907 0.490 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.403 1.560 0.216 0.00 0.00 -0.007 A ATOM 27 C LIG 1 4.125 2.765 0.893 0.00 0.00 +0.010 A ATOM 28 C LIG 1 5.036 3.317 1.798 0.00 0.00 +0.019 A ATOM 29 C LIG 1 6.252 2.680 2.043 0.00 0.00 +0.052 A ATOM 30 C LIG 1 6.547 1.482 1.388 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 4.332 -1.919 0.938 0.00 0.00 +0.152 C ATOM 32 N LIG 1 5.411 -1.577 0.051 0.00 0.00 -0.317 N ATOM 33 C LIG 1 6.006 -0.355 -0.144 0.00 0.00 +0.164 A ATOM 34 N LIG 1 7.003 -0.515 -0.994 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 7.038 -1.833 -1.383 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 6.076 -2.457 -0.748 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 7.192 3.249 2.964 0.00 0.00 +0.099 C ATOM 38 N LIG 1 7.944 3.711 3.717 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 3.172 0.202 -4.461 0.00 0.00 +0.038 C ATOM 40 C LIG 1 3.458 1.404 -5.333 0.00 0.00 +0.010 C ATOM 41 C LIG 1 2.199 0.617 -5.540 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 8