REMARK Name = BDB036175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.070 0.490 0.126 0.00 0.00 -0.326 N ATOM 2 C LIG 1 -1.835 0.410 1.585 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.586 -0.440 1.916 0.00 0.00 +0.103 C ATOM 4 N LIG 1 0.657 0.054 1.283 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.399 0.559 -0.088 0.00 0.00 +0.103 C ATOM 6 C LIG 1 -0.932 0.088 -0.719 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.994 -0.091 -1.160 0.00 0.00 +0.126 A ATOM 8 N LIG 1 -5.748 0.930 -0.298 0.00 0.00 -0.245 NA ATOM 9 C LIG 1 -4.456 1.117 0.093 0.00 0.00 +0.060 A ATOM 10 C LIG 1 -4.247 2.311 0.984 0.00 0.00 +0.067 C ATOM 11 C LIG 1 -3.378 0.299 -0.319 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -3.700 -0.723 -1.226 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -5.011 -0.928 -1.653 0.00 0.00 +0.035 A BRANCH 7 17 ATOM 14 C LIG 1 -9.685 0.686 -1.380 0.00 0.00 +0.128 C ATOM 15 N LIG 1 -8.301 0.611 -1.001 0.00 0.00 -0.313 N ATOM 16 H LIG 1 -7.879 1.344 -0.436 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 -7.420 -0.275 -1.584 0.00 0.00 +0.262 C ATOM 18 O LIG 1 -7.744 -1.142 -2.388 0.00 0.00 -0.269 OA ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 1.700 -0.986 1.319 0.00 0.00 +0.120 C BRANCH 19 20 ATOM 20 C LIG 1 3.109 -0.471 1.040 0.00 0.00 -0.028 A ATOM 21 C LIG 1 4.088 -1.262 0.385 0.00 0.00 -0.021 A ATOM 22 C LIG 1 3.766 -2.668 -0.054 0.00 0.00 +0.046 C ATOM 23 C LIG 1 5.355 -0.690 0.120 0.00 0.00 +0.071 A ATOM 24 C LIG 1 5.683 0.606 0.568 0.00 0.00 +0.088 A ATOM 25 N LIG 1 6.937 1.204 0.341 0.00 0.00 -0.245 NA ATOM 26 C LIG 1 7.823 0.532 -0.332 0.00 0.00 +0.103 A ATOM 27 C LIG 1 7.564 -0.862 -0.882 0.00 0.00 +0.270 A ATOM 28 O LIG 1 8.420 -1.450 -1.526 0.00 0.00 -0.266 OA ATOM 29 C LIG 1 9.176 1.121 -0.603 0.00 0.00 +0.071 C ATOM 30 C LIG 1 4.734 1.339 1.271 0.00 0.00 +0.030 A ATOM 31 N LIG 1 6.330 -1.391 -0.609 0.00 0.00 -0.319 N ATOM 32 H LIG 1 6.154 -2.309 -0.987 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 3.467 0.810 1.504 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 4