REMARK Name = BDB024326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.971 -0.276 0.851 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.329 -1.699 0.433 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.984 -2.210 -0.829 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.329 -3.515 -1.186 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.031 -4.321 -0.294 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.395 -3.823 0.955 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.050 -2.520 1.316 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.571 0.208 0.348 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.443 -0.657 0.755 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.172 -1.488 1.259 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.412 1.240 -0.299 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.806 -0.514 0.470 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.263 0.534 -0.225 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.597 0.607 -0.465 0.00 0.00 +0.136 A ATOM 15 C LIG 1 4.553 -0.317 -0.039 0.00 0.00 +0.049 A ATOM 16 C LIG 1 4.031 -1.404 0.669 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.661 -1.506 0.931 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.929 -0.232 -0.307 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.782 -0.314 0.910 0.00 0.00 +0.201 C ATOM 20 C LIG 1 8.298 -0.158 0.671 0.00 0.00 +0.233 C ATOM 21 O LIG 1 9.095 -0.504 1.548 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 8.721 0.449 -0.510 0.00 0.00 -0.302 N ATOM 23 C LIG 1 10.145 0.515 -0.781 0.00 0.00 +0.132 C ATOM 24 C LIG 1 7.825 0.489 -1.659 0.00 0.00 +0.126 C ATOM 25 C LIG 1 6.377 0.785 -1.267 0.00 0.00 +0.124 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.063 0.691 0.605 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.891 0.382 1.112 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.431 0.862 -0.806 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -3.820 3.380 -0.635 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.430 2.028 -1.028 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -5.787 1.742 -0.390 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.733 0.990 -1.106 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.979 0.689 -0.551 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -8.299 1.132 0.735 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.365 1.875 1.460 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.118 2.175 0.903 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -9.575 0.821 1.308 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -10.607 0.564 1.774 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9