REMARK Name = BDB003674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.800 0.283 -0.180 0.00 0.00 -0.347 N ATOM 2 C LIG 1 -2.473 1.670 -0.237 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -1.192 2.075 -0.039 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -0.132 1.096 0.196 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -0.484 -0.314 0.248 0.00 0.00 +0.045 A ATOM 6 C LIG 1 0.532 -1.363 0.537 0.00 0.00 +0.216 C ATOM 7 C LIG 1 1.893 -0.882 1.043 0.00 0.00 +0.233 C ATOM 8 C LIG 1 2.238 0.526 0.534 0.00 0.00 +0.208 C ATOM 9 O LIG 1 3.385 0.916 0.317 0.00 0.00 -0.288 OA ATOM 10 C LIG 1 1.803 -0.887 2.576 0.00 0.00 +0.073 C ATOM 11 O LIG 1 0.237 -2.557 0.442 0.00 0.00 -0.287 OA ATOM 12 C LIG 1 1.140 1.500 0.324 0.00 0.00 +0.059 C ATOM 13 C LIG 1 -1.774 -0.645 0.064 0.00 0.00 +0.098 A ENDROOT BRANCH 2 14 ATOM 14 C LIG 1 -3.562 2.645 -0.487 0.00 0.00 +0.036 C ATOM 15 C LIG 1 -4.184 2.725 -1.862 0.00 0.00 +0.010 C ATOM 16 C LIG 1 -3.327 3.849 -1.373 0.00 0.00 +0.010 C ENDBRANCH 2 14 BRANCH 1 17 ATOM 17 C LIG 1 -4.193 -0.213 -0.245 0.00 0.00 +0.149 C BRANCH 17 18 ATOM 18 C LIG 1 -4.841 -0.238 1.146 0.00 0.00 +0.181 C BRANCH 18 20 ATOM 19 C LIG 1 -6.275 -2.134 1.155 0.00 0.00 +0.194 C ATOM 20 O LIG 1 -6.189 -0.716 1.091 0.00 0.00 -0.381 OA ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 7 21 ATOM 21 O LIG 1 2.831 -1.849 0.526 0.00 0.00 -0.442 OA BRANCH 21 22 ATOM 22 C LIG 1 4.108 -1.869 0.974 0.00 0.00 +0.309 C ATOM 23 O LIG 1 4.541 -1.268 1.946 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 C LIG 1 4.965 -2.724 0.076 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 5.976 -1.850 -0.649 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 C LIG 1 5.309 -0.932 -1.648 0.00 0.00 +0.307 C ATOM 27 O LIG 1 4.222 -1.135 -2.171 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 6.125 0.126 -1.910 0.00 0.00 -0.468 OA ATOM 29 C LIG 1 5.569 1.090 -2.805 0.00 0.00 +0.280 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 10