REMARK Name = BDB038724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.363 -0.557 0.018 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.598 -1.781 0.524 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.836 -2.332 0.486 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.893 -1.621 -0.074 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.697 -0.329 -0.571 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.398 0.193 -0.532 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.477 0.916 0.479 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.523 -0.064 0.803 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.211 0.152 0.423 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.040 -0.711 0.632 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.048 -0.048 0.063 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.338 1.224 -0.518 0.00 0.00 +0.151 C ATOM 13 O LIG 1 1.135 -1.776 1.212 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.804 1.292 -0.258 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.721 2.271 -0.590 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.059 2.076 -0.219 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 6.112 0.647 2.373 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.943 0.751 0.852 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 6.569 -0.428 0.235 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 6.041 -1.258 0.506 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 6.673 -0.384 -1.226 0.00 0.00 +0.089 C BRANCH 21 22 ATOM 22 C LIG 1 7.734 0.596 -1.696 0.00 0.00 +0.054 C ATOM 23 C LIG 1 9.195 0.230 -1.408 0.00 0.00 +0.166 C ATOM 24 O LIG 1 9.550 0.400 -2.804 0.00 0.00 -0.379 OA ATOM 25 C LIG 1 8.150 0.462 -3.167 0.00 0.00 +0.166 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.822 0.466 -1.110 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.016 0.714 -0.387 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -7.062 1.440 -0.988 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -6.934 1.950 -2.281 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.757 1.726 -2.993 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.719 0.990 -2.416 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -6.253 0.206 0.965 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -5.560 0.526 2.107 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.485 1.466 2.276 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -6.116 -0.206 3.111 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -7.113 -0.913 2.638 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -7.210 -0.642 1.295 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.005 2.696 -2.875 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.859 3.314 -3.360 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -2.984 -3.714 1.088 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.924 -4.744 0.509 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.228 -4.122 1.843 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9