REMARK Name = BDB038470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.689 0.587 -2.510 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.391 0.330 -2.279 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.047 -0.291 -1.138 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.990 -0.715 -0.212 0.00 0.00 +0.054 A ATOM 5 C LIG 1 2.340 -0.492 -0.479 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.691 0.171 -1.650 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.370 -0.938 0.456 0.00 0.00 +0.079 A ATOM 8 N LIG 1 3.677 -2.263 0.677 0.00 0.00 -0.266 N ATOM 9 C LIG 1 3.101 -3.420 0.030 0.00 0.00 +0.173 C ATOM 10 N LIG 1 4.639 -2.449 1.604 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 4.992 -1.208 1.942 0.00 0.00 +0.146 A ATOM 12 C LIG 1 4.251 -0.228 1.258 0.00 0.00 +0.064 A BRANCH 12 13 ATOM 13 C LIG 1 4.350 1.327 1.352 0.00 0.00 +0.167 A ATOM 14 N LIG 1 5.195 2.085 2.122 0.00 0.00 -0.316 N ATOM 15 C LIG 1 6.207 1.644 3.041 0.00 0.00 +0.152 C ATOM 16 C LIG 1 4.902 3.387 1.848 0.00 0.00 +0.225 A ATOM 17 N LIG 1 3.937 3.444 0.963 0.00 0.00 -0.138 NA ATOM 18 N LIG 1 3.589 2.151 0.655 0.00 0.00 -0.129 NA ENDBRANCH 12 13 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 N LIG 1 -1.296 -0.528 -0.837 0.00 0.00 -0.265 N ATOM 20 H LIG 1 -1.528 -0.964 0.049 0.00 0.00 +0.157 HD ATOM 21 C LIG 1 -2.382 -0.196 -1.619 0.00 0.00 +0.268 C ATOM 22 O LIG 1 -2.390 0.327 -2.726 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 -3.683 -0.555 -0.964 0.00 0.00 +0.126 A ATOM 24 N LIG 1 -3.586 -1.137 0.267 0.00 0.00 -0.247 NA ATOM 25 C LIG 1 -4.738 -1.454 0.906 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -5.981 -1.212 0.312 0.00 0.00 +0.029 A ATOM 27 C LIG 1 -6.066 -0.631 -0.961 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -4.882 -0.285 -1.606 0.00 0.00 +0.039 A BRANCH 25 29 ATOM 29 C LIG 1 -4.649 -2.090 2.273 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -3.740 -1.493 3.324 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -5.226 -1.386 3.479 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -7.400 -0.341 -1.590 0.00 0.00 +0.191 C BRANCH 32 33 ATOM 33 O LIG 1 -8.261 -1.465 -1.472 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 -7.757 -2.242 -1.773 0.00 0.00 +0.210 HD ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 3 19 BRANCH 1 35 ATOM 35 N LIG 1 1.959 1.289 -3.685 0.00 0.00 -0.329 N ATOM 36 H LIG 1 1.031 1.437 -4.089 0.00 0.00 +0.147 HD BRANCH 35 38 ATOM 37 C LIG 1 1.806 3.602 -2.800 0.00 0.00 +0.024 C ATOM 38 C LIG 1 2.665 2.558 -3.499 0.00 0.00 +0.099 C ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 9