REMARK Name = BDB022399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.978 2.373 -0.761 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.616 2.068 -0.587 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.634 2.528 -1.481 0.00 0.00 -0.018 A ATOM 4 C LIG 1 1.044 3.307 -2.573 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.392 3.614 -2.767 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.352 3.149 -1.868 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.784 2.196 -1.281 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -1.454 2.560 -0.104 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -2.806 2.246 0.090 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -3.518 1.557 -0.890 0.00 0.00 +0.034 A ATOM 11 C LIG 1 -2.858 1.184 -2.066 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.509 1.502 -2.260 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 -4.875 1.192 -0.769 0.00 0.00 -0.282 N ATOM 14 H LIG 1 -5.263 0.682 -1.550 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -5.735 1.500 0.260 0.00 0.00 +0.241 C ATOM 16 O LIG 1 -5.520 2.216 1.230 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 -7.101 0.931 0.094 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -7.355 -0.295 -0.394 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -8.741 -0.867 -0.508 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 -9.007 -2.061 0.295 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -8.899 -1.814 1.730 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -8.219 -3.222 -0.106 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 4.038 1.881 0.213 0.00 0.00 +0.102 C ATOM 24 C LIG 1 3.728 2.290 1.657 0.00 0.00 +0.022 C BRANCH 23 27 ATOM 25 N LIG 1 5.559 0.042 0.611 0.00 0.00 -0.268 N ATOM 26 H LIG 1 6.173 0.782 0.913 0.00 0.00 +0.156 HD ATOM 27 C LIG 1 4.291 0.364 0.146 0.00 0.00 +0.225 C ATOM 28 O LIG 1 3.436 -0.423 -0.246 0.00 0.00 -0.275 OA BRANCH 25 33 ATOM 29 C LIG 1 7.520 -2.881 1.113 0.00 0.00 +0.038 A ATOM 30 N LIG 1 6.329 -3.333 0.618 0.00 0.00 -0.280 N ATOM 31 H LIG 1 6.046 -4.288 0.426 0.00 0.00 +0.189 HD ATOM 32 N LIG 1 5.451 -2.356 0.364 0.00 0.00 -0.158 NA ATOM 33 C LIG 1 6.079 -1.232 0.701 0.00 0.00 +0.147 A ATOM 34 C LIG 1 7.384 -1.511 1.180 0.00 0.00 +0.068 A BRANCH 29 36 ATOM 35 C LIG 1 9.539 -4.066 0.270 0.00 0.00 +0.010 C ATOM 36 C LIG 1 8.641 -3.791 1.466 0.00 0.00 +0.051 C ENDBRANCH 29 36 ENDBRANCH 25 33 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 9