REMARK Name = BDB018120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.154 -0.555 1.865 0.00 0.00 +0.063 C ATOM 2 C LIG 1 2.277 -1.354 2.845 0.00 0.00 +0.030 C ATOM 3 C LIG 1 0.798 -1.339 2.458 0.00 0.00 +0.108 C ATOM 4 N LIG 1 0.306 -0.005 2.117 0.00 0.00 -0.301 N ATOM 5 C LIG 1 -0.999 0.264 1.742 0.00 0.00 +0.216 C ATOM 6 O LIG 1 -1.408 1.408 1.521 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 1.244 1.099 2.274 0.00 0.00 +0.108 C ATOM 8 C LIG 1 2.536 0.811 1.516 0.00 0.00 +0.030 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 3.427 -1.366 0.593 0.00 0.00 +0.166 C ATOM 10 O LIG 1 2.767 -2.366 0.311 0.00 0.00 -0.292 OA BRANCH 9 13 ATOM 11 C LIG 1 6.430 0.430 -0.962 0.00 0.00 +0.060 A ATOM 12 C LIG 1 5.430 0.072 -0.042 0.00 0.00 +0.026 A ATOM 13 C LIG 1 4.516 -0.943 -0.346 0.00 0.00 +0.018 A ATOM 14 C LIG 1 4.618 -1.603 -1.579 0.00 0.00 +0.011 A ATOM 15 C LIG 1 5.610 -1.252 -2.497 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.514 -0.236 -2.191 0.00 0.00 +0.015 A BRANCH 11 17 ATOM 17 C LIG 1 7.368 1.520 -0.579 0.00 0.00 +0.339 C ATOM 18 O LIG 1 7.303 2.111 0.487 0.00 0.00 -0.245 OA BRANCH 17 20 ATOM 19 C LIG 1 9.208 2.785 -1.263 0.00 0.00 +0.280 C ATOM 20 O LIG 1 8.273 1.747 -1.562 0.00 0.00 -0.464 OA ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 9 13 ENDBRANCH 1 9 BRANCH 5 21 ATOM 21 C LIG 1 -1.945 -0.903 1.511 0.00 0.00 +0.099 C BRANCH 21 22 ATOM 22 C LIG 1 -1.897 -1.395 0.055 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -2.798 -2.624 -0.106 0.00 0.00 +0.008 C BRANCH 22 24 ATOM 24 C LIG 1 -2.229 -0.315 -0.996 0.00 0.00 +0.078 C BRANCH 24 25 ATOM 25 C LIG 1 -3.603 0.306 -0.853 0.00 0.00 +0.111 A ATOM 26 N LIG 1 -3.702 1.390 -0.026 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -2.890 1.725 0.492 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -4.882 2.042 0.218 0.00 0.00 +0.259 A ATOM 29 O LIG 1 -4.967 2.995 0.985 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 -6.058 1.517 -0.497 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -5.872 0.406 -1.329 0.00 0.00 +0.081 A ATOM 32 C LIG 1 -6.982 -0.116 -2.017 0.00 0.00 -0.024 A ATOM 33 C LIG 1 -8.243 0.484 -1.857 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -8.408 1.591 -1.023 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.827 -1.308 -2.919 0.00 0.00 +0.046 C ATOM 36 C LIG 1 -7.314 2.112 -0.338 0.00 0.00 +0.015 A ATOM 37 N LIG 1 -4.610 -0.197 -1.490 0.00 0.00 -0.233 NA ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 8