REMARK Name = BDB017438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.318 -0.382 0.026 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.170 0.766 0.827 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.883 1.273 1.048 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.734 0.700 0.518 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.336 1.529 0.981 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.117 2.510 1.776 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.875 -0.465 -0.259 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.448 2.350 1.766 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.013 3.010 2.287 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.160 -0.984 -0.490 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 9.302 -0.911 0.482 0.00 0.00 +0.120 A ATOM 12 C LIG 1 7.976 -1.214 0.139 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.194 -0.246 -0.471 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.772 -0.231 -0.957 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.686 -0.979 -0.211 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.606 1.148 -1.555 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.801 1.821 -1.358 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.953 2.761 -1.689 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 4.617 1.573 -2.129 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.115 -1.419 -1.597 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.752 1.012 -0.733 0.00 0.00 +0.038 A ATOM 22 C LIG 1 9.050 1.346 -0.413 0.00 0.00 +0.027 A ATOM 23 C LIG 1 9.831 0.364 0.206 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 11.329 -1.703 1.447 0.00 0.00 +0.277 C ATOM 25 O LIG 1 9.977 -1.942 1.080 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.737 1.385 0.715 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -2.291 0.909 -0.413 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -3.740 0.802 -0.633 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -4.239 -0.302 -1.332 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -5.609 -0.427 -1.585 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.509 0.556 -1.151 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -6.004 1.673 -0.472 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.634 1.796 -0.219 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -7.992 0.424 -1.427 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -8.806 -0.265 -0.420 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 -8.843 0.412 0.887 0.00 0.00 +0.113 C ATOM 37 C LIG 1 -9.808 -0.308 1.844 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -9.441 -1.684 2.019 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -9.427 -2.356 0.752 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -8.453 -1.682 -0.229 0.00 0.00 +0.113 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6