REMARK Name = BDB063613 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.449 2.377 -0.355 0.00 0.00 +0.226 A ATOM 2 N LIG 1 -1.213 2.240 -0.865 0.00 0.00 -0.214 NA ATOM 3 C LIG 1 -0.495 1.167 -0.519 0.00 0.00 +0.082 A ATOM 4 C LIG 1 -0.982 0.176 0.333 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -0.156 -0.925 0.676 0.00 0.00 +0.062 A ATOM 6 C LIG 1 1.134 -1.043 0.159 0.00 0.00 +0.162 A ATOM 7 C LIG 1 1.612 -0.049 -0.707 0.00 0.00 +0.164 A ATOM 8 C LIG 1 -2.291 0.377 0.792 0.00 0.00 +0.132 A ATOM 9 C LIG 1 0.790 1.037 -1.031 0.00 0.00 +0.078 A ATOM 10 N LIG 1 -2.991 1.470 0.456 0.00 0.00 -0.199 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -4.511 3.695 -0.327 0.00 0.00 +0.245 C ATOM 12 N LIG 1 -3.199 3.521 -0.752 0.00 0.00 -0.240 N ATOM 13 C LIG 1 -2.497 4.460 -1.625 0.00 0.00 +0.141 C ATOM 14 O LIG 1 -5.084 3.087 0.575 0.00 0.00 -0.270 OA BRANCH 11 16 ATOM 15 C LIG 1 -6.332 5.350 -0.496 0.00 0.00 +0.014 C ATOM 16 C LIG 1 -5.300 4.724 -1.076 0.00 0.00 +0.060 C ENDBRANCH 11 16 ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 O LIG 1 1.995 -2.073 0.437 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 1.552 -3.079 1.338 0.00 0.00 +0.277 C ENDBRANCH 6 17 BRANCH 8 19 ATOM 19 N LIG 1 -2.873 -0.557 1.664 0.00 0.00 -0.326 N ATOM 20 H LIG 1 -2.798 -1.503 1.293 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -4.257 -0.304 2.109 0.00 0.00 +0.074 C ATOM 22 C LIG 1 -4.539 -1.216 3.320 0.00 0.00 +0.037 C ATOM 23 C LIG 1 -5.219 -2.538 2.941 0.00 0.00 +0.086 C ATOM 24 N LIG 1 -4.793 -2.983 1.613 0.00 0.00 -0.305 NA ATOM 25 C LIG 1 -5.231 -4.350 1.339 0.00 0.00 +0.104 C ATOM 26 C LIG 1 -5.278 -2.062 0.570 0.00 0.00 +0.086 C ATOM 27 C LIG 1 -5.280 -0.591 1.005 0.00 0.00 +0.037 C ENDBRANCH 19 21 ENDBRANCH 8 19 BRANCH 7 28 ATOM 28 O LIG 1 2.884 -0.230 -1.189 0.00 0.00 -0.488 OA BRANCH 28 29 ATOM 29 C LIG 1 3.476 0.833 -1.932 0.00 0.00 +0.230 C BRANCH 29 30 ATOM 30 C LIG 1 4.919 0.458 -2.264 0.00 0.00 +0.056 C BRANCH 30 31 ATOM 31 C LIG 1 5.763 0.275 -0.995 0.00 0.00 +0.087 C BRANCH 31 32 ATOM 32 N LIG 1 7.182 0.068 -1.307 0.00 0.00 -0.302 NA ATOM 33 C LIG 1 8.002 0.040 -0.092 0.00 0.00 +0.084 C ATOM 34 C LIG 1 9.322 -0.524 -0.589 0.00 0.00 +0.017 C ATOM 35 C LIG 1 8.953 -1.398 -1.781 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.453 -1.212 -1.966 0.00 0.00 +0.084 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 7 28 TORSDOF 10