REMARK Name = BDB001580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.208 0.473 -0.186 0.00 0.00 +0.189 C ATOM 2 C LIG 1 3.992 1.195 -1.573 0.00 0.00 +0.061 C ATOM 3 C LIG 1 3.490 2.541 -1.267 0.00 0.00 +0.001 C ATOM 4 C LIG 1 2.832 3.160 -0.051 0.00 0.00 +0.014 C ATOM 5 C LIG 1 2.494 2.587 1.240 0.00 0.00 +0.093 C ATOM 6 C LIG 1 1.394 3.200 1.971 0.00 0.00 +0.016 C ATOM 7 C LIG 1 0.354 2.145 2.231 0.00 0.00 +0.024 C ATOM 8 C LIG 1 0.696 0.883 1.554 0.00 0.00 +0.172 C ATOM 9 N LIG 1 2.064 1.177 1.024 0.00 0.00 -0.283 N ATOM 10 C LIG 1 2.879 0.136 0.594 0.00 0.00 +0.239 C ATOM 11 O LIG 1 2.580 -1.034 0.869 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 5.628 -1.155 0.756 0.00 0.00 +0.253 C ATOM 13 N LIG 1 5.043 -0.748 -0.379 0.00 0.00 -0.203 NA ATOM 14 O LIG 1 6.291 -0.451 1.519 0.00 0.00 -0.272 OA BRANCH 12 15 ATOM 15 C LIG 1 5.400 -2.653 0.991 0.00 0.00 +0.188 C ATOM 16 N LIG 1 6.502 -3.383 0.346 0.00 0.00 -0.129 NA BRANCH 15 18 ATOM 17 C LIG 1 5.379 -3.434 3.924 0.00 0.00 +0.002 C ATOM 18 C LIG 1 5.377 -2.977 2.429 0.00 0.00 +0.023 C ENDBRANCH 15 18 ENDBRANCH 12 15 ENDBRANCH 1 13 BRANCH 8 19 ATOM 19 C LIG 1 -0.338 0.612 0.417 0.00 0.00 +0.254 C ATOM 20 N LIG 1 -1.308 -0.206 0.865 0.00 0.00 -0.197 NA ATOM 21 O LIG 1 -0.214 1.107 -0.706 0.00 0.00 -0.272 OA BRANCH 20 22 ATOM 22 C LIG 1 -2.575 -0.125 0.376 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -3.072 1.101 -0.302 0.00 0.00 -0.015 A ATOM 24 C LIG 1 -3.107 2.333 0.362 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -3.623 3.467 -0.271 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.115 3.375 -1.573 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.089 2.151 -2.242 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.572 1.020 -1.607 0.00 0.00 +0.006 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 C LIG 1 -3.453 -1.294 0.696 0.00 0.00 -0.015 A ATOM 30 C LIG 1 -4.832 -1.121 0.888 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -5.663 -2.210 1.173 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.127 -3.492 1.270 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.760 -3.684 1.081 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.933 -2.594 0.796 0.00 0.00 +0.006 A ENDBRANCH 22 29 ENDBRANCH 20 22 ENDBRANCH 8 19 BRANCH 2 35 ATOM 35 C LIG 1 3.089 0.488 -2.511 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 N LIG 1 2.247 -0.013 -3.437 0.00 0.00 -0.234 NA ATOM 37 C LIG 1 1.408 -0.938 -3.096 0.00 0.00 +0.284 C ATOM 38 N LIG 1 1.359 -1.601 -1.802 0.00 0.00 -0.104 NA ATOM 39 N LIG 1 0.486 -1.412 -4.133 0.00 0.00 -0.104 NA ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9