REMARK Name = BDB034400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.432 -1.722 0.352 0.00 0.00 +0.130 A ATOM 2 C LIG 1 4.140 -0.392 0.653 0.00 0.00 +0.074 A ATOM 3 C LIG 1 2.917 0.175 0.324 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.938 -0.611 -0.334 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.702 0.010 -0.683 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.499 1.328 -0.271 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.519 1.999 0.376 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.240 -1.972 -0.594 0.00 0.00 +0.015 A ATOM 9 N LIG 1 2.716 1.456 0.661 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.473 -2.523 -0.250 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.302 -0.738 -1.327 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.106 -1.374 -2.008 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.535 -0.131 -1.822 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -2.608 -0.110 -0.733 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.917 0.467 -1.275 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.916 0.521 -0.209 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -5.071 -0.414 0.169 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -6.197 1.035 -0.708 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -7.237 1.087 0.379 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -8.521 0.604 0.187 0.00 0.00 +0.171 A ATOM 21 O LIG 1 -8.998 0.016 -0.947 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 -10.356 -0.274 -0.561 0.00 0.00 +0.466 C ATOM 23 O LIG 1 -10.674 0.145 0.780 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 -9.484 0.677 1.170 0.00 0.00 +0.167 A ATOM 25 C LIG 1 -9.231 1.242 2.401 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -7.953 1.751 2.629 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.968 1.679 1.627 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 O LIG 1 5.620 -2.324 0.701 0.00 0.00 -0.456 OA BRANCH 28 32 ATOM 29 C LIG 1 9.230 -0.375 -0.067 0.00 0.00 +0.120 A ATOM 30 C LIG 1 8.257 -0.442 -1.069 0.00 0.00 +0.049 A ATOM 31 C LIG 1 7.037 -1.082 -0.838 0.00 0.00 +0.050 A ATOM 32 C LIG 1 6.781 -1.646 0.412 0.00 0.00 +0.129 A ATOM 33 C LIG 1 7.755 -1.603 1.409 0.00 0.00 +0.050 A ATOM 34 C LIG 1 8.976 -0.962 1.174 0.00 0.00 +0.049 A BRANCH 29 36 ATOM 35 C LIG 1 11.385 0.402 0.566 0.00 0.00 +0.277 C ATOM 36 O LIG 1 10.375 0.280 -0.428 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 10