REMARK Name = BDB015171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.686 -0.232 -0.011 0.00 0.00 +0.023 A ATOM 2 C LIG 1 -0.705 -1.010 0.642 0.00 0.00 +0.057 A ATOM 3 C LIG 1 0.394 -1.529 -0.048 0.00 0.00 +0.121 A ATOM 4 C LIG 1 0.520 -1.299 -1.417 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -0.429 -0.536 -2.090 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.517 -0.008 -1.392 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -5.759 2.318 0.304 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -4.732 1.533 0.762 0.00 0.00 +0.145 A ATOM 9 C LIG 1 -4.959 1.274 2.103 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -4.012 0.481 2.740 0.00 0.00 +0.124 A ATOM 11 N LIG 1 -2.957 0.006 2.038 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 -2.847 0.321 0.724 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -6.166 1.931 2.458 0.00 0.00 +0.031 A ATOM 14 N LIG 1 -3.707 1.088 0.023 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 -6.640 2.568 1.328 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 -5.871 2.826 -1.055 0.00 0.00 +0.218 C BRANCH 16 20 ATOM 17 C LIG 1 -6.705 -0.484 -2.756 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -6.654 0.610 -1.818 0.00 0.00 -0.317 N ATOM 19 H LIG 1 -6.764 0.373 -0.840 0.00 0.00 +0.148 HD ATOM 20 C LIG 1 -5.957 1.761 -2.133 0.00 0.00 +0.233 C ATOM 21 O LIG 1 -5.510 1.969 -3.262 0.00 0.00 -0.274 OA ENDBRANCH 16 20 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 22 ATOM 22 O LIG 1 1.390 -2.286 0.502 0.00 0.00 -0.489 OA BRANCH 22 23 ATOM 23 C LIG 1 1.567 -2.184 1.915 0.00 0.00 +0.261 C BRANCH 23 24 ATOM 24 C LIG 1 2.941 -2.740 2.296 0.00 0.00 +0.166 C BRANCH 24 25 ATOM 25 O LIG 1 3.164 -2.536 3.700 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 3.633 -1.676 3.749 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.138 -2.149 1.511 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 4.488 -0.777 1.959 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 3.842 0.266 1.129 0.00 0.00 +0.120 C ATOM 30 C LIG 1 4.433 0.451 -0.253 0.00 0.00 -0.030 A ATOM 31 C LIG 1 5.756 0.066 -0.530 0.00 0.00 -0.042 A ATOM 32 C LIG 1 6.289 0.280 -1.808 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.520 0.889 -2.799 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.213 1.285 -2.523 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.575 -0.637 0.523 0.00 0.00 +0.051 C ATOM 36 C LIG 1 3.673 1.071 -1.256 0.00 0.00 +0.005 A ATOM 37 C LIG 1 5.947 -0.546 1.923 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 9