REMARK Name = BDB035793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.009 0.039 -1.395 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.760 0.077 -0.721 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.598 -0.565 -1.187 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.690 -1.259 -2.393 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.890 -1.307 -3.102 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -4.028 -0.667 -2.609 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.388 -0.499 -0.444 0.00 0.00 -0.263 N ATOM 8 C LIG 1 0.831 -1.102 -0.776 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.146 -1.800 -1.722 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.784 -0.754 0.286 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.130 0.034 1.224 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.804 0.506 2.336 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.154 0.164 2.485 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.817 -0.646 1.533 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.117 -1.105 0.407 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.287 0.238 0.811 0.00 0.00 +0.149 C BRANCH 14 17 ATOM 17 C LIG 1 5.282 -0.985 1.704 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.106 -0.123 0.855 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 5.790 0.839 0.970 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 7.546 -0.321 1.088 0.00 0.00 +0.017 C ATOM 21 C LIG 1 8.293 0.833 0.352 0.00 0.00 +0.022 C ATOM 22 C LIG 1 9.131 1.020 1.635 0.00 0.00 +0.004 C ATOM 23 C LIG 1 7.972 0.365 2.416 0.00 0.00 +0.022 C ATOM 24 C LIG 1 8.059 -1.717 0.781 0.00 0.00 +0.027 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 25 C LIG 1 -6.301 2.157 -2.118 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -5.323 2.338 -0.937 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -5.301 0.779 -0.768 0.00 0.00 +0.060 C ATOM 28 C LIG 1 -6.669 0.782 -1.526 0.00 0.00 +0.051 C BRANCH 27 29 ATOM 29 C LIG 1 -5.489 0.317 0.736 0.00 0.00 +0.144 A ATOM 30 N LIG 1 -5.780 -0.944 1.182 0.00 0.00 -0.320 N ATOM 31 C LIG 1 -5.989 -2.129 0.398 0.00 0.00 +0.151 C ATOM 32 C LIG 1 -5.801 -0.865 2.540 0.00 0.00 +0.224 A ATOM 33 N LIG 1 -5.533 0.365 2.913 0.00 0.00 -0.138 NA ATOM 34 N LIG 1 -5.329 1.110 1.775 0.00 0.00 -0.134 NA ENDBRANCH 27 29 BRANCH 25 36 ATOM 35 C LIG 1 -5.345 3.362 -3.999 0.00 0.00 +0.194 C ATOM 36 O LIG 1 -5.733 2.112 -3.445 0.00 0.00 -0.380 OA ENDBRANCH 25 36 ENDBRANCH 1 27 TORSDOF 7