REMARK Name = LIG000393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.176 -1.973 -0.971 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -3.081 -2.772 -1.330 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.800 -2.212 -1.231 0.00 0.00 +0.049 A ATOM 4 N LIG 1 -0.573 -2.756 -1.531 0.00 0.00 -0.339 N ATOM 5 H LIG 1 -0.409 -3.685 -1.888 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 0.421 -1.853 -1.291 0.00 0.00 +0.145 A ATOM 7 C LIG 1 -0.151 -0.690 -0.804 0.00 0.00 +0.066 A ATOM 8 C LIG 1 0.736 0.354 -0.475 0.00 0.00 +0.132 A ATOM 9 N LIG 1 2.056 0.147 -0.699 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 2.490 -1.038 -1.187 0.00 0.00 +0.138 A ATOM 11 N LIG 1 1.720 -2.097 -1.503 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -1.570 -0.906 -0.786 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -2.689 -0.118 -0.443 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -3.979 -0.659 -0.539 0.00 0.00 +0.009 A ENDROOT BRANCH 1 17 ATOM 15 C LIG 1 -6.732 -0.937 -2.773 0.00 0.00 +0.070 C ATOM 16 C LIG 1 -6.639 -2.072 -1.825 0.00 0.00 +0.088 A ATOM 17 C LIG 1 -5.519 -2.503 -1.067 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -5.989 -3.591 -0.365 0.00 0.00 +0.142 A ATOM 19 C LIG 1 -5.409 -4.524 0.620 0.00 0.00 +0.090 C ATOM 20 O LIG 1 -7.293 -3.802 -0.690 0.00 0.00 -0.359 OA ATOM 21 N LIG 1 -7.706 -2.849 -1.602 0.00 0.00 -0.083 NA ENDBRANCH 1 17 BRANCH 8 22 ATOM 22 N LIG 1 0.294 1.566 0.072 0.00 0.00 -0.326 N ATOM 23 H LIG 1 -0.527 1.392 0.640 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 1.310 2.396 0.732 0.00 0.00 +0.072 C ATOM 25 C LIG 1 0.599 3.266 1.793 0.00 0.00 +0.024 C ATOM 26 C LIG 1 1.399 4.525 2.105 0.00 0.00 +0.020 C ATOM 27 C LIG 1 1.508 5.434 0.870 0.00 0.00 +0.051 C ATOM 28 C LIG 1 1.472 4.647 -0.449 0.00 0.00 +0.020 C ATOM 29 C LIG 1 2.073 3.251 -0.302 0.00 0.00 +0.024 C BRANCH 27 30 ATOM 30 N LIG 1 2.738 6.218 0.979 0.00 0.00 -0.327 NA ATOM 31 H LIG 1 2.705 6.797 1.818 0.00 0.00 +0.118 HD ATOM 32 H LIG 1 2.807 6.861 0.191 0.00 0.00 +0.118 HD ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 10 33 ATOM 33 C LIG 1 3.980 -1.186 -1.384 0.00 0.00 +0.111 C BRANCH 33 34 ATOM 34 C LIG 1 4.714 -1.606 -0.130 0.00 0.00 -0.040 A ATOM 35 C LIG 1 4.942 -2.962 0.142 0.00 0.00 +0.004 A ATOM 36 C LIG 1 5.608 -3.347 1.307 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.045 -2.382 2.213 0.00 0.00 +0.000 A ATOM 38 C LIG 1 5.813 -1.031 1.958 0.00 0.00 +0.000 A ATOM 39 C LIG 1 5.148 -0.644 0.794 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 6