REMARK Name = BDB038751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.106 -0.386 -0.829 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.800 -0.524 -0.337 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.888 0.518 -0.473 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.246 1.667 -1.070 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.489 1.823 -1.584 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.432 0.807 -1.477 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.573 0.392 0.022 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.402 1.389 -0.048 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.377 2.525 -0.485 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.619 0.828 0.557 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.348 -0.470 0.967 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.330 -1.226 1.574 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.590 -0.641 1.756 0.00 0.00 +0.006 A ATOM 14 C LIG 1 3.883 0.687 1.335 0.00 0.00 -0.027 A ATOM 15 C LIG 1 2.857 1.429 0.725 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.064 -0.816 0.643 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.290 1.268 1.574 0.00 0.00 +0.039 C ATOM 18 C LIG 1 5.430 1.528 3.093 0.00 0.00 +0.032 C ATOM 19 C LIG 1 5.557 2.612 0.859 0.00 0.00 +0.032 C BRANCH 17 20 ATOM 20 N LIG 1 6.345 0.287 1.221 0.00 0.00 -0.307 NA ATOM 21 H LIG 1 7.246 0.634 1.549 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 6.454 -0.016 -0.209 0.00 0.00 +0.085 C BRANCH 22 23 ATOM 23 C LIG 1 7.380 -1.212 -0.399 0.00 0.00 +0.003 C ATOM 24 C LIG 1 6.841 -2.604 0.034 0.00 0.00 +0.005 C ATOM 25 C LIG 1 7.574 -3.187 -1.191 0.00 0.00 +0.001 C ATOM 26 C LIG 1 7.453 -1.792 -1.837 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -6.354 -1.279 -0.032 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.098 -1.468 -0.661 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.798 -2.748 -1.169 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.705 -3.807 -1.068 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.944 -3.609 -0.461 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.266 -2.349 0.048 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -5.128 0.318 2.405 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -6.229 0.697 1.562 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -6.791 0.006 0.516 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -7.835 0.693 0.088 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -7.929 1.851 0.822 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -6.956 1.841 1.700 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -7.880 -4.690 -0.361 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.624 -5.576 -0.272 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -3.841 3.129 -2.256 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -3.970 3.187 -3.761 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -2.811 3.857 -3.088 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9