REMARK Name = BDB038684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.574 -0.288 -1.234 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.237 -0.105 -2.402 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.584 -0.245 -2.456 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.300 -0.546 -1.300 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.642 -0.690 -0.073 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.249 -0.573 -0.057 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.413 0.151 -0.958 0.00 0.00 +0.121 A ATOM 8 C LIG 1 3.298 -0.190 -0.195 0.00 0.00 +0.059 A ATOM 9 C LIG 1 2.067 -0.118 -0.820 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.739 -0.414 -0.271 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.175 -0.161 -1.284 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.470 0.254 -2.518 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.578 -0.822 0.864 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.915 0.284 -2.145 0.00 0.00 -0.017 A ATOM 15 C LIG 1 3.018 0.643 -2.899 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.277 0.584 -2.289 0.00 0.00 +0.046 A BRANCH 7 17 ATOM 17 O LIG 1 5.676 0.153 -0.428 0.00 0.00 -0.489 OA BRANCH 17 18 ATOM 18 C LIG 1 6.087 -1.166 -0.026 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 7.562 -1.109 0.391 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 8.349 -0.639 -0.719 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 7.919 0.184 -1.018 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 7.780 -0.173 1.597 0.00 0.00 +0.115 C BRANCH 22 24 ATOM 23 C LIG 1 9.468 0.778 3.038 0.00 0.00 +0.101 C ATOM 24 N LIG 1 9.179 -0.240 2.040 0.00 0.00 -0.316 NA ATOM 25 H LIG 1 9.780 -0.111 1.222 0.00 0.00 +0.122 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.404 -0.967 1.159 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -4.439 -0.087 2.268 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.148 -0.456 3.428 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -5.843 -1.666 3.495 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.829 -2.527 2.399 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.115 -2.182 1.248 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -3.736 1.198 2.305 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -3.936 2.282 1.486 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.906 2.460 0.442 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.065 3.244 1.902 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -2.398 2.812 2.943 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -2.830 1.534 3.206 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -6.567 -2.020 4.681 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -7.169 -2.309 5.629 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -4.231 -0.050 -3.813 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -5.369 -0.926 -4.279 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -5.620 0.523 -3.972 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 11