REMARK Name = BDB024130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.366 -0.014 0.400 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.531 -1.444 0.909 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.880 -1.684 2.248 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.022 -2.990 2.718 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.824 -4.068 1.857 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.491 -3.844 0.523 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.350 -2.539 0.049 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.084 -0.193 0.647 0.00 0.00 -0.283 N ATOM 9 H LIG 1 0.805 -0.702 1.478 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.063 0.221 -0.205 0.00 0.00 +0.239 C ATOM 11 O LIG 1 0.256 0.765 -1.291 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.218 0.095 0.100 0.00 0.00 +0.074 A ATOM 13 N LIG 1 4.414 0.648 -0.838 0.00 0.00 -0.253 NA ATOM 14 C LIG 1 3.070 0.548 -0.659 0.00 0.00 +0.134 A ATOM 15 C LIG 1 2.472 -0.081 0.427 0.00 0.00 +0.052 A ATOM 16 C LIG 1 3.325 -0.639 1.380 0.00 0.00 +0.027 A ATOM 17 C LIG 1 4.710 -0.555 1.218 0.00 0.00 +0.030 A BRANCH 12 22 ATOM 18 C LIG 1 9.589 1.243 -1.945 0.00 0.00 +0.172 C ATOM 19 N LIG 1 8.571 0.741 -1.056 0.00 0.00 -0.274 N ATOM 20 N LIG 1 8.931 0.097 0.070 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 7.761 -0.220 0.632 0.00 0.00 +0.144 A ATOM 22 C LIG 1 6.649 0.217 -0.124 0.00 0.00 +0.038 A ATOM 23 C LIG 1 7.222 0.839 -1.216 0.00 0.00 +0.118 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.449 0.279 -0.564 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.316 -0.119 -0.202 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.652 1.720 -0.762 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.794 1.998 -1.755 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.157 1.597 -1.236 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -5.735 0.382 -1.628 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.985 0.000 -1.136 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.671 0.831 -0.245 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.100 2.044 0.151 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.849 2.425 -0.341 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -8.953 0.440 0.263 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -9.989 0.124 0.680 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9