REMARK Name = BDB038690 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.248 2.488 -0.216 0.00 0.00 +0.217 A ATOM 2 N LIG 1 0.006 2.015 -0.105 0.00 0.00 -0.198 NA ATOM 3 C LIG 1 0.251 0.740 -0.451 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.772 -0.075 -0.931 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -2.091 0.402 -1.009 0.00 0.00 -0.009 A ATOM 6 C LIG 1 -2.318 1.730 -0.647 0.00 0.00 +0.075 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.556 0.232 -0.289 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.646 0.974 0.163 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.762 2.149 0.462 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.780 0.043 0.241 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.345 -1.217 -0.151 0.00 0.00 -0.018 A ATOM 12 C LIG 1 4.221 -2.287 -0.167 0.00 0.00 +0.006 A ATOM 13 C LIG 1 5.547 -2.058 0.220 0.00 0.00 +0.006 A ATOM 14 C LIG 1 5.988 -0.775 0.623 0.00 0.00 -0.021 A ATOM 15 C LIG 1 5.085 0.297 0.628 0.00 0.00 +0.019 A ATOM 16 C LIG 1 1.897 -1.165 -0.505 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 7.426 -0.567 1.019 0.00 0.00 +0.191 C BRANCH 17 18 ATOM 18 O LIG 1 8.270 -0.660 -0.120 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 7.742 -0.407 -0.897 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 20 ATOM 20 C LIG 1 -3.201 -0.478 -1.436 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -3.453 -1.741 -0.843 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -4.497 -2.553 -1.322 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -5.316 -2.118 -2.366 0.00 0.00 +0.052 A ATOM 24 C LIG 1 -5.090 -0.869 -2.945 0.00 0.00 +0.019 A ATOM 25 C LIG 1 -4.043 -0.062 -2.486 0.00 0.00 +0.010 A BRANCH 21 26 ATOM 26 C LIG 1 -2.637 -2.265 0.251 0.00 0.00 +0.164 A ATOM 27 N LIG 1 -2.637 -1.823 1.551 0.00 0.00 -0.317 N ATOM 28 C LIG 1 -3.468 -0.810 2.144 0.00 0.00 +0.152 C ATOM 29 C LIG 1 -1.678 -2.540 2.198 0.00 0.00 +0.225 A ATOM 30 N LIG 1 -1.123 -3.385 1.361 0.00 0.00 -0.138 NA ATOM 31 N LIG 1 -1.736 -3.224 0.142 0.00 0.00 -0.129 NA ENDBRANCH 21 26 BRANCH 23 32 ATOM 32 C LIG 1 -6.383 -2.950 -2.841 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -7.254 -3.616 -3.220 0.00 0.00 -0.191 NA ENDBRANCH 23 32 ENDBRANCH 5 20 BRANCH 1 34 ATOM 34 O LIG 1 -1.524 3.793 0.141 0.00 0.00 -0.477 OA BRANCH 34 36 ATOM 35 C LIG 1 -0.783 5.936 0.877 0.00 0.00 +0.048 C ATOM 36 C LIG 1 -0.356 4.519 0.538 0.00 0.00 +0.227 C ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 8