REMARK Name = BDB007774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.246 -2.797 -2.329 0.00 0.00 +0.246 C ATOM 2 N LIG 1 -1.107 -1.970 -1.639 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.850 -1.704 -0.694 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.605 -3.543 -3.233 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.112 -1.685 -0.918 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.760 -1.667 -1.282 0.00 0.00 +0.039 A ATOM 7 C LIG 1 1.168 -2.776 -1.895 0.00 0.00 +0.056 A ATOM 8 C LIG 1 1.956 -3.895 -2.123 0.00 0.00 +0.123 A ATOM 9 N LIG 1 3.252 -3.985 -1.743 0.00 0.00 -0.261 NA ATOM 10 C LIG 1 3.782 -2.891 -1.138 0.00 0.00 +0.133 A BRANCH 5 11 ATOM 11 N LIG 1 3.647 -0.573 -0.266 0.00 0.00 -0.340 N ATOM 12 H LIG 1 3.139 0.285 -0.468 0.00 0.00 +0.146 HD BRANCH 11 18 ATOM 13 C LIG 1 9.142 0.732 2.938 0.00 0.00 +0.109 C ATOM 14 C LIG 1 8.560 1.368 1.701 0.00 0.00 +0.212 C ATOM 15 N LIG 1 7.424 0.770 1.149 0.00 0.00 -0.302 N ATOM 16 C LIG 1 7.051 -0.618 1.429 0.00 0.00 +0.109 C ATOM 17 C LIG 1 5.562 -0.874 1.229 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.098 -0.387 -0.146 0.00 0.00 +0.073 C ATOM 19 C LIG 1 5.436 1.099 -0.292 0.00 0.00 +0.041 C ATOM 20 C LIG 1 6.929 1.331 -0.107 0.00 0.00 +0.109 C ATOM 21 O LIG 1 9.073 2.384 1.230 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 -2.540 -2.040 -1.881 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -3.269 -0.873 -1.198 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -3.016 -0.963 0.211 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.384 -0.156 0.611 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.782 -0.935 -1.518 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.668 0.096 -0.955 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.188 -0.239 0.377 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.064 0.839 0.983 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.078 2.146 0.465 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.885 3.123 1.063 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.656 2.814 2.184 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.632 1.525 2.710 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.283 2.474 -0.773 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.838 0.543 2.117 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.159 1.464 -1.030 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8