REMARK Name = BDB018480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.050 0.081 0.267 0.00 0.00 +0.025 A ATOM 2 C LIG 1 1.190 -0.147 -0.293 0.00 0.00 +0.123 A ATOM 3 N LIG 1 2.070 0.764 0.251 0.00 0.00 -0.238 N ATOM 4 N LIG 1 1.417 1.618 1.087 0.00 0.00 -0.174 NA ATOM 5 C LIG 1 0.157 1.183 1.110 0.00 0.00 +0.143 A ENDROOT BRANCH 1 7 ATOM 6 C LIG 1 -2.575 -0.019 -0.092 0.00 0.00 +0.135 A ATOM 7 C LIG 1 -1.254 -0.664 0.007 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -1.204 -2.004 -0.149 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -2.327 -2.779 -0.381 0.00 0.00 -0.317 N ATOM 10 C LIG 1 -2.159 -4.217 -0.522 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -3.598 -2.231 -0.459 0.00 0.00 +0.255 A ATOM 12 O LIG 1 -4.633 -2.865 -0.643 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -3.677 -0.758 -0.306 0.00 0.00 +0.116 A BRANCH 6 14 ATOM 14 O LIG 1 -2.545 1.354 0.030 0.00 0.00 -0.491 OA BRANCH 14 16 ATOM 15 C LIG 1 -4.462 2.193 1.257 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -3.743 2.120 -0.078 0.00 0.00 +0.226 C ENDBRANCH 14 16 ENDBRANCH 6 14 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 C LIG 1 3.476 0.923 0.036 0.00 0.00 +0.083 A ATOM 18 C LIG 1 4.307 -0.054 -0.544 0.00 0.00 +0.077 A ATOM 19 C LIG 1 5.674 0.228 -0.739 0.00 0.00 +0.021 A ATOM 20 C LIG 1 6.222 1.450 -0.351 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.413 2.405 0.248 0.00 0.00 +0.002 A ATOM 22 C LIG 1 4.056 2.144 0.445 0.00 0.00 +0.029 A BRANCH 18 23 ATOM 23 C LIG 1 3.887 -1.380 -0.894 0.00 0.00 +0.101 C ATOM 24 N LIG 1 3.566 -2.458 -1.180 0.00 0.00 -0.191 NA ENDBRANCH 18 23 ENDBRANCH 3 17 TORSDOF 5