REMARK Name = BDB024858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.151 -2.174 0.501 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.207 -1.554 1.339 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.742 -0.809 2.499 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.286 -1.762 3.575 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.742 0.145 3.172 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.846 0.799 2.141 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.103 -0.300 1.440 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.729 -0.207 1.139 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.851 0.816 1.395 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.322 0.425 0.934 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.231 -0.839 0.390 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.082 -1.253 0.497 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.748 -2.416 0.108 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.117 -2.496 0.397 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.807 -1.459 1.042 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.344 -2.273 0.781 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.624 -3.135 -1.591 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.652 -2.595 -0.696 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.318 -1.660 -0.119 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 1.460 -1.565 -1.628 0.00 0.00 +0.235 C ATOM 21 N LIG 1 2.703 -1.272 -2.145 0.00 0.00 -0.299 N ATOM 22 C LIG 1 3.921 -0.938 -1.422 0.00 0.00 +0.120 C ATOM 23 C LIG 1 4.820 -0.301 -2.474 0.00 0.00 +0.093 C ATOM 24 C LIG 1 4.437 -1.076 -3.733 0.00 0.00 +0.033 C ATOM 25 C LIG 1 2.929 -1.226 -3.582 0.00 0.00 +0.108 C ATOM 26 O LIG 1 0.500 -1.773 -2.374 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 6.274 -0.394 -2.085 0.00 0.00 +0.215 C ATOM 28 O LIG 1 7.125 -0.997 -2.726 0.00 0.00 -0.276 OA ATOM 29 N LIG 1 6.592 0.271 -0.936 0.00 0.00 -0.329 N ATOM 30 H LIG 1 7.575 0.336 -0.706 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 5.977 1.002 -0.574 0.00 0.00 +0.145 HD ENDBRANCH 23 27 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 1.552 1.270 1.017 0.00 0.00 +0.096 C BRANCH 32 33 ATOM 33 C LIG 1 1.685 2.181 -0.207 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 N LIG 1 2.575 3.323 0.037 0.00 0.00 -0.315 N ATOM 35 C LIG 1 3.956 3.138 0.012 0.00 0.00 +0.251 A ATOM 36 O LIG 1 4.521 2.066 -0.195 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 4.784 4.351 0.261 0.00 0.00 +0.070 A ATOM 38 C LIG 1 4.198 5.525 0.523 0.00 0.00 +0.007 A ATOM 39 C LIG 1 2.764 5.629 0.573 0.00 0.00 +0.018 A ATOM 40 C LIG 1 2.006 4.552 0.337 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 7