REMARK Name = BDB053393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.222 0.491 0.331 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.314 0.007 1.079 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -1.246 -0.194 2.294 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.621 -0.262 0.313 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -3.857 -0.139 1.245 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -4.227 -1.462 1.938 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -4.171 -2.676 1.024 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -2.870 -2.791 0.384 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -2.837 -3.625 -0.199 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.520 -1.615 -0.413 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -5.061 0.537 0.578 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -5.583 1.666 1.095 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -6.745 2.354 0.468 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -7.176 3.385 0.977 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -7.255 1.753 -0.678 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -8.390 2.357 -1.355 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -6.708 0.598 -1.203 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -5.660 -0.003 -0.626 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 -0.414 1.273 -0.875 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -0.629 0.620 -2.219 0.00 0.00 +0.024 C ATOM 21 C LIG 1 0.606 1.426 -1.975 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 1.042 0.665 1.061 0.00 0.00 +0.145 C BRANCH 22 30 ATOM 23 C LIG 1 4.513 0.021 -0.393 0.00 0.00 -0.046 A ATOM 24 C LIG 1 4.479 -1.365 -0.567 0.00 0.00 +0.013 A ATOM 25 C LIG 1 3.339 -2.107 -0.215 0.00 0.00 +0.001 A ATOM 26 C LIG 1 2.197 -1.467 0.316 0.00 0.00 +0.076 A ATOM 27 N LIG 1 1.109 -2.178 0.668 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 1.114 -3.517 0.511 0.00 0.00 +0.111 A ATOM 29 C LIG 1 2.182 -4.220 -0.004 0.00 0.00 +0.020 A ATOM 30 C LIG 1 2.229 -0.076 0.473 0.00 0.00 -0.004 A ATOM 31 C LIG 1 3.311 -3.501 -0.373 0.00 0.00 +0.011 A ATOM 32 C LIG 1 3.389 0.655 0.140 0.00 0.00 +0.011 A BRANCH 23 33 ATOM 33 C LIG 1 5.751 0.808 -0.741 0.00 0.00 +0.037 C BRANCH 33 34 ATOM 34 C LIG 1 6.772 0.790 0.395 0.00 0.00 +0.033 C BRANCH 34 35 ATOM 35 C LIG 1 8.006 1.616 0.042 0.00 0.00 +0.160 C BRANCH 35 37 ATOM 36 C LIG 1 8.801 2.245 2.196 0.00 0.00 +0.193 C ATOM 37 O LIG 1 9.031 1.476 1.023 0.00 0.00 -0.383 OA ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 9