REMARK Name = BDB062466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.551 0.581 -1.419 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -1.779 1.225 -1.940 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -3.078 0.431 -1.671 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -3.291 0.280 -0.223 0.00 0.00 -0.327 N ATOM 5 C LIG 1 -2.079 0.202 0.611 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.847 -0.234 -0.219 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.548 0.036 0.313 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -5.621 -0.398 -0.487 0.00 0.00 +0.052 A ATOM 9 C LIG 1 -6.843 -0.616 0.113 0.00 0.00 +0.089 A ATOM 10 C LIG 1 -7.067 -0.425 1.455 0.00 0.00 +0.157 A ATOM 11 O LIG 1 -8.370 -0.707 1.828 0.00 0.00 -0.408 OA ATOM 12 C LIG 1 -8.945 -1.094 0.610 0.00 0.00 +0.419 A ATOM 13 O LIG 1 -10.112 -1.435 0.484 0.00 0.00 -0.223 OA ATOM 14 C LIG 1 -6.060 0.003 2.282 0.00 0.00 +0.050 A ATOM 15 N LIG 1 -8.029 -1.038 -0.414 0.00 0.00 -0.288 N ATOM 16 H LIG 1 -8.238 -1.278 -1.368 0.00 0.00 +0.172 HD ATOM 17 C LIG 1 -4.804 0.231 1.699 0.00 0.00 +0.027 A ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 0.492 1.589 -1.189 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 6.529 -0.382 0.274 0.00 0.00 +0.019 A ATOM 20 C LIG 1 6.082 0.588 1.328 0.00 0.00 +0.252 A ATOM 21 O LIG 1 6.804 0.906 2.266 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 4.820 1.112 1.200 0.00 0.00 -0.321 N ATOM 23 H LIG 1 4.538 1.761 1.921 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 3.962 0.792 0.143 0.00 0.00 +0.068 A ATOM 25 C LIG 1 4.378 -0.097 -0.846 0.00 0.00 +0.088 A ATOM 26 N LIG 1 3.618 -0.455 -1.901 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 2.384 0.100 -1.964 0.00 0.00 +0.116 A ATOM 28 C LIG 1 1.869 0.995 -1.023 0.00 0.00 -0.013 A ATOM 29 C LIG 1 2.692 1.350 0.052 0.00 0.00 +0.034 A ATOM 30 C LIG 1 5.711 -0.682 -0.751 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 7.987 -2.064 1.440 0.00 0.00 +0.009 C ATOM 32 C LIG 1 7.915 -0.951 0.404 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 4