REMARK Name = BDB010366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.060 0.738 1.782 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.722 0.864 1.453 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.149 -0.387 1.578 0.00 0.00 +0.129 A ATOM 4 C LIG 1 1.178 -1.170 2.079 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.056 -2.465 2.411 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -0.187 -2.917 2.207 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -1.246 -2.241 1.725 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.111 -0.949 1.375 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.333 -0.468 2.220 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.399 -4.343 2.543 0.00 0.00 +0.220 A ATOM 11 N LIG 1 0.631 -5.060 3.025 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.570 -4.736 3.190 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 0.176 -6.301 3.236 0.00 0.00 +0.440 A ATOM 14 O LIG 1 0.826 -7.240 3.665 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -1.151 -6.343 2.883 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.491 -5.027 2.429 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.929 1.786 1.705 0.00 0.00 -0.298 N ATOM 18 C LIG 1 3.712 1.977 2.933 0.00 0.00 +0.132 C BRANCH 17 19 ATOM 19 C LIG 1 3.783 1.778 0.478 0.00 0.00 +0.170 C BRANCH 19 23 ATOM 20 C LIG 1 4.370 -2.382 -2.165 0.00 0.00 +0.066 C ATOM 21 C LIG 1 4.752 -1.379 -1.139 0.00 0.00 +0.046 A ATOM 22 N LIG 1 3.955 -0.260 -0.967 0.00 0.00 -0.248 NA ATOM 23 C LIG 1 4.426 0.488 0.014 0.00 0.00 +0.096 A ATOM 24 S LIG 1 5.890 -0.069 0.723 0.00 0.00 -0.079 S ATOM 25 C LIG 1 5.852 -1.438 -0.305 0.00 0.00 +0.070 A ENDBRANCH 19 23 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 26 ATOM 26 N LIG 1 -2.178 -0.244 0.843 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.869 0.440 0.165 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.421 -0.910 0.429 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -4.203 -1.464 1.618 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -3.217 -1.974 -0.650 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.473 -2.381 -1.473 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -3.543 -2.503 -2.696 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -2.616 -1.487 -2.000 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 0.022 2.126 1.287 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.233 2.866 -0.049 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.517 4.214 -0.006 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.684 4.795 -1.405 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.571 3.898 -2.283 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.232 4.103 -3.760 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -1.486 2.414 -1.885 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.124 2.043 -1.303 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9