REMARK Name = BDB064637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.144 -1.762 -2.732 0.00 0.00 +0.163 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 -1.789 -3.561 -3.123 0.00 0.00 -0.328 N ATOM 3 H LIG 1 -2.244 -4.404 -2.793 0.00 0.00 +0.145 HD ATOM 4 H LIG 1 -1.563 -3.532 -4.109 0.00 0.00 +0.145 HD ATOM 5 C LIG 1 -0.978 -2.948 -2.209 0.00 0.00 +0.231 C ATOM 6 O LIG 1 -0.966 -3.328 -1.040 0.00 0.00 -0.274 OA ENDBRANCH 1 5 BRANCH 1 7 ATOM 7 N LIG 1 0.909 -1.475 -1.761 0.00 0.00 -0.302 N ATOM 8 H LIG 1 0.576 -1.221 -0.834 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 2.090 -2.184 -1.781 0.00 0.00 +0.234 C ATOM 10 O LIG 1 2.441 -2.866 -2.740 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 2.966 -2.033 -0.517 0.00 0.00 +0.164 C ATOM 12 N LIG 1 2.334 -1.248 0.551 0.00 0.00 -0.287 N ATOM 13 C LIG 1 2.401 0.119 0.750 0.00 0.00 +0.224 C ATOM 14 O LIG 1 1.933 0.621 1.773 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 1.747 -2.118 1.564 0.00 0.00 +0.140 C ATOM 16 C LIG 1 2.007 -3.547 1.079 0.00 0.00 +0.134 C ATOM 17 C LIG 1 3.197 -3.395 0.132 0.00 0.00 +0.065 C BRANCH 16 18 ATOM 18 O LIG 1 2.322 -4.442 2.135 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 3.054 -4.067 2.654 0.00 0.00 +0.210 HD ENDBRANCH 16 18 BRANCH 13 20 ATOM 20 C LIG 1 3.120 0.942 -0.313 0.00 0.00 +0.171 C BRANCH 20 21 ATOM 21 C LIG 1 2.656 2.349 -0.354 0.00 0.00 +0.134 A ATOM 22 O LIG 1 2.547 2.923 -1.596 0.00 0.00 -0.447 OA ATOM 23 C LIG 1 2.136 4.194 -1.337 0.00 0.00 +0.308 A ATOM 24 N LIG 1 1.975 4.479 -0.066 0.00 0.00 -0.224 NA ATOM 25 C LIG 1 2.311 3.310 0.570 0.00 0.00 +0.156 A ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 9 11 ENDBRANCH 1 7 BRANCH 1 26 ATOM 26 C LIG 1 -1.027 -0.538 -3.031 0.00 0.00 +0.067 C BRANCH 26 27 ATOM 27 C LIG 1 -1.561 0.173 -1.807 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -0.909 1.307 -1.311 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -1.367 1.945 -0.155 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -2.491 1.470 0.537 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -3.145 0.338 0.025 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.689 -0.303 -1.131 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 -2.969 2.136 1.760 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -3.188 1.409 2.943 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -3.641 2.040 4.105 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -3.882 3.411 4.105 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.670 4.152 2.945 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -3.217 3.519 1.784 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9