REMARK Name = BDB056861 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.736 -0.498 -0.687 0.00 0.00 +0.034 A ATOM 2 C LIG 1 2.135 -1.484 -1.464 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.744 -1.500 -1.638 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.085 -0.536 -1.046 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.531 0.451 -0.275 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.922 0.472 -0.097 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 5.105 -1.284 -0.883 0.00 0.00 +0.248 C ATOM 8 N LIG 1 4.125 -0.403 -0.463 0.00 0.00 -0.282 N ATOM 9 H LIG 1 4.418 0.365 0.126 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 4.937 -2.347 -1.469 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 9.155 -0.226 0.136 0.00 0.00 +0.034 A ATOM 12 C LIG 1 8.230 0.774 -0.173 0.00 0.00 +0.024 A ATOM 13 C LIG 1 6.910 0.448 -0.511 0.00 0.00 +0.015 A ATOM 14 C LIG 1 6.499 -0.889 -0.530 0.00 0.00 +0.037 A ATOM 15 C LIG 1 7.425 -1.895 -0.239 0.00 0.00 +0.015 A ATOM 16 C LIG 1 8.742 -1.564 0.096 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 11.130 1.243 0.561 0.00 0.00 +0.241 C ATOM 18 N LIG 1 10.497 0.023 0.489 0.00 0.00 -0.282 N ATOM 19 H LIG 1 11.064 -0.794 0.668 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 10.668 2.342 0.281 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 13.061 0.284 1.853 0.00 0.00 +0.013 C ATOM 22 C LIG 1 12.559 1.164 0.976 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 -1.463 -0.610 -1.268 0.00 0.00 -0.284 N ATOM 24 H LIG 1 -1.792 -1.385 -1.825 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.554 0.149 -0.858 0.00 0.00 +0.221 A ATOM 26 N LIG 1 -3.743 -0.288 -1.292 0.00 0.00 -0.195 NA ATOM 27 C LIG 1 -4.877 0.374 -0.935 0.00 0.00 +0.163 A ATOM 28 N LIG 1 -6.109 -0.129 -1.428 0.00 0.00 -0.326 N ATOM 29 C LIG 1 -7.138 -0.459 -0.524 0.00 0.00 +0.056 A ATOM 30 C LIG 1 -7.667 0.502 0.344 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -7.290 1.934 0.292 0.00 0.00 +0.261 A ATOM 32 N LIG 1 -5.959 2.349 0.173 0.00 0.00 -0.307 N ATOM 33 C LIG 1 -5.705 3.767 0.428 0.00 0.00 +0.152 C ATOM 34 O LIG 1 -8.207 2.741 0.479 0.00 0.00 -0.267 OA ATOM 35 C LIG 1 -8.689 0.162 1.258 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -9.183 -1.141 1.345 0.00 0.00 -0.050 A ATOM 37 C LIG 1 -10.289 -1.476 2.300 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -8.671 -2.101 0.479 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.666 -1.764 -0.436 0.00 0.00 +0.027 A ATOM 40 C LIG 1 -5.939 -0.999 -2.595 0.00 0.00 +0.151 C ATOM 41 C LIG 1 -4.834 1.523 -0.148 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -3.551 1.888 0.232 0.00 0.00 +0.144 A ATOM 43 N LIG 1 -2.421 1.230 -0.093 0.00 0.00 -0.220 NA ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 6