REMARK Name = BDB018282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.030 0.687 0.135 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -1.372 0.278 -0.152 0.00 0.00 +0.060 A ATOM 3 C LIG 1 -2.316 1.246 -0.144 0.00 0.00 +0.097 A ATOM 4 C LIG 1 -2.001 2.683 0.027 0.00 0.00 +0.253 A ATOM 5 O LIG 1 -2.917 3.500 0.038 0.00 0.00 -0.268 OA ATOM 6 N LIG 1 -0.656 2.990 0.138 0.00 0.00 -0.318 N ATOM 7 C LIG 1 -0.260 4.378 0.313 0.00 0.00 +0.152 C ATOM 8 C LIG 1 0.307 2.006 0.232 0.00 0.00 +0.099 A ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 4.318 -1.792 0.216 0.00 0.00 +0.172 C ATOM 10 N LIG 1 2.981 -1.323 0.487 0.00 0.00 -0.274 N ATOM 11 N LIG 1 2.260 -1.909 1.461 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 1.098 -1.251 1.435 0.00 0.00 +0.143 A ATOM 13 C LIG 1 1.077 -0.243 0.446 0.00 0.00 +0.023 A ATOM 14 C LIG 1 2.321 -0.307 -0.143 0.00 0.00 +0.116 A ENDBRANCH 1 13 BRANCH 2 15 ATOM 15 N LIG 1 -1.746 -1.061 -0.471 0.00 0.00 -0.322 N ATOM 16 C LIG 1 -0.963 -2.063 -1.028 0.00 0.00 +0.091 A ATOM 17 C LIG 1 -1.701 -3.215 -1.187 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -3.005 -2.933 -0.748 0.00 0.00 +0.019 A ATOM 19 C LIG 1 -3.016 -1.619 -0.337 0.00 0.00 +0.091 A ENDBRANCH 2 15 TORSDOF 2